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Nepseudin

Family: Plantae - Leguminosae/Fabaceae
Kingdom: Plantae
Class: Pterocarpan

Canonical Smiles	COc1c(ccc(c1OC)OC)C1COc2c(C1=O)cc1c(c2)occ1
InChI	InChI=1S/C20H18O6/c1-22-15-5-4-12(19(23-2)20(15)24-3)14-10-26-17-9-16-11(6-7-25-16)8-13(17)18(14)21/h4-9,14H,10H2,1-3H3
InChIKey	PWEWBHDLPRFGPA-UHFFFAOYSA-N
Formula	C₂₀H₁₈O₆
HBA	6
HBD	0
MW	354.36
Rotatable Bonds	4
TPSA	67.13
LogP	3.82
Number Rings	4
Number Aromatic Rings	3
Heavy Atom Count	26
Formal Charge	0
Fraction CSP3	0.25
Exact Mass	354.11
Number of Lipinski Rule Violations	0

#	Species	Family	Kingdom	NCBI Taxonomy ID
1	Neorautanenia mitis	Leguminosae/Fabaceae	Plantae	167620

Showing of synonyms

Joseph CC, Ndoile MM, et al. (2004). Larvicidal and mosquitocidal extracts, a coumarin, isoflavonoids and pterocarpans from Neorautanenia mitis.. Transactions of the Royal Society of Tropical Medicine and Hygiene,2004,98(8),451-455. [View] [PubMed]

Pubchem: 338491

Cas: 20848-57-1

Comptox: DTXSID90320562

No compound-protein relationship available.

SMILES: c1coc(c12)cc3c(c2)C(=O)C(CO3)c4ccccc4

Level: 1

Mol. Weight: 354.36 g/mol

SMILES: c1coc(c12)cc3c(c2)C(=O)CCO3

Level: 0

Mol. Weight: 354.36 g/mol

SMILES: c1ccccc1

Level: 0

Mol. Weight: 354.36 g/mol

Larvicidal

Mosquitocidal

Absorption

Caco-2 (logPapp): -4.77
Human Oral Bioavailability 20%: Bioavailable
Human Intestinal Absorption: Absorbed
Madin-Darby Canine Kidney: -4.730
Human Oral Bioavailability 50%: Bioavailable
P-Glycoprotein Inhibitor: Inhibitor
P-Glycoprotein Substrate: Non-Substrate
Skin Permeability: -2.06

Distribution

Blood-Brain Barrier (CNS): -
Blood-Brain Barrier: Penetrable
Fraction Unbound (Human): 1.360
Plasma Protein Binding: 64.44
Steady State Volume of Distribution: -

Metabolism

Breast Cancer Resistance Protein: Inhibitor
CYP 1A2 Inhibitor: Non-Inhibitor
CYP 1A2 Substrate: Substrate
CYP 2C19 Inhibitor: Inhibitor
CYP 2C19 Substrate: Non-Substrate
CYP 2C9 Inhibitor: Inhibitor
CYP 2C9 Substrate: Substrate
CYP 2D6 Inhibitor: Non-Inhibitor
CYP 2D6 Substrate: Non-Substrate
CYP 3A4 Inhibitor: Inhibitor
CYP 3A4 Substrate: Non-Substrate
OATP1B1: Non-Inhibitor
OATP1B3: Non-Inhibitor

Excretion

Clearance: 7.360
Organic Cation Transporter 2: Non-Inhibitor
Half-Life of Drug: -

Toxicity

AMES Mutagenesis: Safe
Avian: Safe
Bee: Toxic
Bioconcentration Factor: 2.000
Biodegradation: Safe
Carcinogenesis: Safe
Crustacean: Toxic
Liver Injury I (DILI): Safe
Eye Corrosion: Safe
Eye Irritation: Safe
Maximum Tolerated Dose: 0.580
Liver Injury II: Toxic
hERG Blockers: Safe
Daphnia Maga: 7.440
Micronucleos: Toxic
NR-AhR: Toxic
NR-AR: Safe
NR-AR-LBD: Safe
NR-Aromatase: Safe
NR-ER: Safe
NR-ER-LBD: Safe
NR-GR: Safe
NR-PPAR-gamma: Safe
NR-TR: Safe
T. Pyriformis: -3.630
Rat (Acute): 2.890
Rat (Chronic Oral): 2.180
Fathead Minnow: 5.270
Respiratory Disease: Safe
Skin Sensitisation: Safe
SR-ARE: Toxic
SR-ATAD5: Toxic
SR-HSE: Safe
SR-MMP: Safe
SR-p53: Safe

General Properties

Boiling Point: 442.750
Hydration Free Energy: -6.940
Log(D) at pH=7.4: 2.300
Log(P): 3.08
Log S: -4.41
Log(Vapor Pressure): -7.71
Melting Point: 145.59
pKa Acid: 7.99
pKa Basic: 2.98

Protein Name	UniProt ID	Entry Name	Species	#Pharmacophore Points	Probability (0.7 ≤ Tversky Score ≤ 1.0)
Acetolactate synthase, chloroplastic	P17597	ILVB_ARATH	Arabidopsis thaliana	3	0.9636
Acetolactate synthase, chloroplastic	P17597	ILVB_ARATH	Arabidopsis thaliana	3	0.9636
DNA gyrase subunit A	P0AES5	GYRA_SHIFL	Shigella flexneri	3	0.9328
DNA gyrase subunit A	P0AES5	GYRA_SHIFL	Shigella flexneri	3	0.9328
Beta-2-microglobulin	P61769	B2MG_HUMAN	Homo sapiens	3	0.9314
Beta-2-microglobulin	P61769	B2MG_HUMAN	Homo sapiens	3	0.9314
Peptidyl-prolyl cis-trans isomerase FKBP1A	P62942	FKB1A_HUMAN	Homo sapiens	3	0.9120
Peptidyl-prolyl cis-trans isomerase FKBP1A	P62942	FKB1A_HUMAN	Homo sapiens	3	0.9120
CREB-binding protein	Q92793	CBP_HUMAN	Homo sapiens	3	0.9107
CREB-binding protein	Q92793	CBP_HUMAN	Homo sapiens	3	0.9107
Serine/threonine-protein kinase 10	O94804	STK10_HUMAN	Homo sapiens	3	0.9104
Serine/threonine-protein kinase 10	O94804	STK10_HUMAN	Homo sapiens	3	0.9104
NAD-capped RNA hydrolase NudC	P32664	NUDC_ECOLI	Escherichia coli	3	0.9093
NAD-capped RNA hydrolase NudC	P32664	NUDC_ECOLI	Escherichia coli	3	0.9093
Methionine aminopeptidase 2	P50579	MAP2_HUMAN	Homo sapiens	3	0.9089
Methionine aminopeptidase 2	P50579	MAP2_HUMAN	Homo sapiens	3	0.9089
Carbonic anhydrase 2	P00918	CAH2_HUMAN	Homo sapiens	3	0.9076
Carbonic anhydrase 2	P00918	CAH2_HUMAN	Homo sapiens	3	0.9076
Bromodomain-containing protein 2	P25440	BRD2_HUMAN	Homo sapiens	3	0.9074
Bromodomain-containing protein 2	P25440	BRD2_HUMAN	Homo sapiens	3	0.9074
Acetolactate synthase, chloroplastic	P17597	ILVB_ARATH	Arabidopsis thaliana	3	0.9069
Acetolactate synthase, chloroplastic	P17597	ILVB_ARATH	Arabidopsis thaliana	3	0.9069
Thymidylate synthase	P00469	TYSY_LACCA	Lacticaseibacillus casei	3	0.9052
Thymidylate synthase	P00469	TYSY_LACCA	Lacticaseibacillus casei	3	0.9052
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	Q9Y233	PDE10_HUMAN	Homo sapiens	3	0.9032
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	Q9Y233	PDE10_HUMAN	Homo sapiens	3	0.9032
Chitinase A	Q9AMP1	Q9AMP1_VIBHA	Vibrio harveyi	3	0.9028
Chitinase A	Q9AMP1	Q9AMP1_VIBHA	Vibrio harveyi	3	0.9028
Enoyl-[acyl-carrier-protein] reductase [NADH]	Q5NGQ3	Q5NGQ3_FRATT	Francisella tularensis subsp. tularensis	3	0.8966
Enoyl-[acyl-carrier-protein] reductase [NADH]	Q5NGQ3	Q5NGQ3_FRATT	Francisella tularensis subsp. tularensis	3	0.8966
Carnitine O-palmitoyltransferase 2, mitochondrial	P18886	CPT2_RAT	Rattus norvegicus	3	0.8888
Carnitine O-palmitoyltransferase 2, mitochondrial	P18886	CPT2_RAT	Rattus norvegicus	3	0.8888
Phospholipase A2, major isoenzyme	P00592	PA21B_PIG	Sus scrofa	3	0.8847
Phospholipase A2, major isoenzyme	P00592	PA21B_PIG	Sus scrofa	3	0.8847
Carbonic anhydrase 2	P00918	CAH2_HUMAN	Homo sapiens	3	0.8815
Carbonic anhydrase 2	P00918	CAH2_HUMAN	Homo sapiens	3	0.8815
Serine/threonine-protein kinase 24	Q9Y6E0	STK24_HUMAN	Homo sapiens	3	0.8707
Serine/threonine-protein kinase 24	Q9Y6E0	STK24_HUMAN	Homo sapiens	3	0.8707
Decaprenylphosphoryl-beta-D-ribose oxidase	I6X8C4	I6X8C4_MYCTU	Mycobacterium tuberculosis	3	0.8665
Decaprenylphosphoryl-beta-D-ribose oxidase	I6X8C4	I6X8C4_MYCTU	Mycobacterium tuberculosis	3	0.8665
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase	Q8DNV6	Q8DNV6_STRR6	Streptococcus pneumoniae	3	0.8645
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase	Q8DNV6	Q8DNV6_STRR6	Streptococcus pneumoniae	3	0.8645
HTH-type transcriptional regulator TtgR	Q9AIU0	TTGR_PSEPT	Pseudomonas putida	3	0.8644
HTH-type transcriptional regulator TtgR	Q9AIU0	TTGR_PSEPT	Pseudomonas putida	3	0.8644
Aldo-keto reductase family 1 member B10	O60218	AK1BA_HUMAN	Homo sapiens	3	0.8619
Aldo-keto reductase family 1 member B10	O60218	AK1BA_HUMAN	Homo sapiens	3	0.8619
Steroid Delta-isomerase	P07445	SDIS_PSEPU	Pseudomonas putida	2	0.8586
Steroid Delta-isomerase	P07445	SDIS_PSEPU	Pseudomonas putida	2	0.8586
RNA polymerase sigma factor SigA	Q5SKW1	Q5SKW1_THET8	Thermus thermophilus	3	0.8581
RNA polymerase sigma factor SigA	Q5SKW1	Q5SKW1_THET8	Thermus thermophilus	3	0.8581
histidine kinase	O32393	O32393_ARTPT	Arthrospira platensis	3	0.8580
histidine kinase	O32393	O32393_ARTPT	Arthrospira platensis	3	0.8580
Ribosomal small subunit pseudouridine synthase A	P0AA43	RSUA_ECOLI	Escherichia coli	3	0.8507
Ribosomal small subunit pseudouridine synthase A	P0AA43	RSUA_ECOLI	Escherichia coli	3	0.8507
Sulfotransferase 2A1	Q06520	ST2A1_HUMAN	Homo sapiens	3	0.8504
Sulfotransferase 2A1	Q06520	ST2A1_HUMAN	Homo sapiens	3	0.8504
Enoyl-[acyl-carrier-protein] reductase [NADH], chloroplastic	P80030	FABI_BRANA	Brassica napus	4	0.8471
Enoyl-[acyl-carrier-protein] reductase [NADH], chloroplastic	P80030	FABI_BRANA	Brassica napus	4	0.8471
Urokinase-type plasminogen activator	P00749	UROK_HUMAN	Homo sapiens	3	0.8466
Urokinase-type plasminogen activator	P00749	UROK_HUMAN	Homo sapiens	3	0.8466
Enoyl-ACP reductase	Q9BH77	Q9BH77_PLAFA	Plasmodium falciparum	4	0.8366
Enoyl-ACP reductase	Q9BH77	Q9BH77_PLAFA	Plasmodium falciparum	4	0.8366
Steroid C26-monooxygenase	P9WPP1	CP125_MYCTU	Mycobacterium tuberculosis	3	0.8344
Steroid C26-monooxygenase	P9WPP1	CP125_MYCTU	Mycobacterium tuberculosis	3	0.8344
Gag-Pol polyprotein	P04584	POL_HV2RO	Human immunodeficiency virus type 2 subtype A	4	0.8305
Gag-Pol polyprotein	P04584	POL_HV2RO	Human immunodeficiency virus type 2 subtype A	4	0.8305
Enoyl-acyl carrier reductase	C6KSZ2	C6KSZ2_PLAF7	Plasmodium falciparum	4	0.8287
Enoyl-acyl carrier reductase	C6KSZ2	C6KSZ2_PLAF7	Plasmodium falciparum	4	0.8287
Protein LlR18A	P52778	L18A_LUPLU	Lupinus luteus	3	0.8276
Protein LlR18A	P52778	L18A_LUPLU	Lupinus luteus	3	0.8276
Phenylalanine-4-hydroxylase	P00439	PH4H_HUMAN	Homo sapiens	3	0.8244
Phenylalanine-4-hydroxylase	P00439	PH4H_HUMAN	Homo sapiens	3	0.8244
Mycocyclosin synthase	P9WPP7	CP121_MYCTU	Mycobacterium tuberculosis	3	0.8233
Mycocyclosin synthase	P9WPP7	CP121_MYCTU	Mycobacterium tuberculosis	3	0.8233
Toxoflavin degrading enzyme	E3SET7	E3SET7_PAEPO	Paenibacillus polymyxa	3	0.8228
Toxoflavin degrading enzyme	E3SET7	E3SET7_PAEPO	Paenibacillus polymyxa	3	0.8228
E3 ubiquitin-protein ligase Mdm2	P56273	MDM2_XENLA	Xenopus laevis	3	0.8225
E3 ubiquitin-protein ligase Mdm2	P56273	MDM2_XENLA	Xenopus laevis	3	0.8225
Beta-lactamase	Q9L5C8	Q9L5C8_ECOLX	Escherichia coli	3	0.8214
Beta-lactamase	Q9L5C8	Q9L5C8_ECOLX	Escherichia coli	3	0.8214
AGAP001556-PA	Q7PXT9	Q7PXT9_ANOGA	Anopheles gambiae	3	0.8193
AGAP001556-PA	Q7PXT9	Q7PXT9_ANOGA	Anopheles gambiae	3	0.8193
Aldo-keto reductase family 1 member B1	P15121	ALDR_HUMAN	Homo sapiens	3	0.8160
Aldo-keto reductase family 1 member B1	P15121	ALDR_HUMAN	Homo sapiens	3	0.8160
Mycocyclosin synthase	P9WPP7	CP121_MYCTU	Mycobacterium tuberculosis	2	0.8106
Epidermal growth factor receptor	P00533	EGFR_HUMAN	Homo sapiens	3	0.8106
Epidermal growth factor receptor	P00533	EGFR_HUMAN	Homo sapiens	3	0.8106
Mycocyclosin synthase	P9WPP7	CP121_MYCTU	Mycobacterium tuberculosis	2	0.8106
Gag-Pol polyprotein	P03367	POL_HV1BR	Human immunodeficiency virus type 1 group M subtype B	3	0.8097
Gag-Pol polyprotein	P03367	POL_HV1BR	Human immunodeficiency virus type 1 group M subtype B	3	0.8097
Aldo-keto reductase family 1 member C3	P42330	AK1C3_HUMAN	Homo sapiens	2	0.8087
Aldo-keto reductase family 1 member C3	P42330	AK1C3_HUMAN	Homo sapiens	2	0.8087
3',5'-cyclic-AMP phosphodiesterase 4D	Q08499	PDE4D_HUMAN	Homo sapiens	3	0.8064
3',5'-cyclic-AMP phosphodiesterase 4D	Q08499	PDE4D_HUMAN	Homo sapiens	3	0.8064
Carbonic anhydrase 12	O43570	CAH12_HUMAN	Homo sapiens	3	0.8049
Carbonic anhydrase 12	O43570	CAH12_HUMAN	Homo sapiens	3	0.8049
Albumin	P02768	ALBU_HUMAN	Homo sapiens	3	0.8041
Albumin	P02768	ALBU_HUMAN	Homo sapiens	3	0.8041
Nodulin-13	P93330	NOD13_MEDTR	Medicago truncatula	3	0.8035
Nodulin-13	P93330	NOD13_MEDTR	Medicago truncatula	3	0.8035
Proliferating cell nuclear antigen	P12004	PCNA_HUMAN	Homo sapiens	3	0.7998
Proliferating cell nuclear antigen	P12004	PCNA_HUMAN	Homo sapiens	3	0.7998
Mycocyclosin synthase	P9WPP7	CP121_MYCTU	Mycobacterium tuberculosis	3	0.7997
Mycocyclosin synthase	P9WPP7	CP121_MYCTU	Mycobacterium tuberculosis	3	0.7997
Pantothenate synthetase	P9WIL5	PANC_MYCTU	Mycobacterium tuberculosis	3	0.7994
Pantothenate synthetase	P9WIL5	PANC_MYCTU	Mycobacterium tuberculosis	3	0.7994
Albumin	P02768	ALBU_HUMAN	Homo sapiens	3	0.7981
Albumin	P02768	ALBU_HUMAN	Homo sapiens	3	0.7981
Seminal ribonuclease	P00669	RNS_BOVIN	Bos taurus	3	0.7981
Seminal ribonuclease	P00669	RNS_BOVIN	Bos taurus	3	0.7981
Prostaglandin E synthase 2	Q9N0A4	PGES2_MACFA	Macaca fascicularis	3	0.7977
Prostaglandin E synthase 2	Q9N0A4	PGES2_MACFA	Macaca fascicularis	3	0.7977
Riboflavin synthase	P0AFU8	RISA_ECOLI	Escherichia coli	4	0.7960
Riboflavin synthase	P0AFU8	RISA_ECOLI	Escherichia coli	4	0.7960
Protoporphyrinogen oxidase	P50336	PPOX_HUMAN	Homo sapiens	3	0.7952
Protoporphyrinogen oxidase	P50336	PPOX_HUMAN	Homo sapiens	3	0.7952
Peroxisome proliferator-activated receptor gamma	P37231	PPARG_HUMAN	Homo sapiens	3	0.7949
Peroxisome proliferator-activated receptor gamma	P37231	PPARG_HUMAN	Homo sapiens	3	0.7949
Enoyl-ACP reductase	Q9BH77	Q9BH77_PLAFA	Plasmodium falciparum	5	0.7937
Enoyl-ACP reductase	Q9BH77	Q9BH77_PLAFA	Plasmodium falciparum	5	0.7937
Heat shock protein HSP 90-alpha	P07900	HS90A_HUMAN	Homo sapiens	3	0.7922
Heat shock protein HSP 90-alpha	P07900	HS90A_HUMAN	Homo sapiens	3	0.7922
3',5'-cyclic-AMP phosphodiesterase 4D	Q08499	PDE4D_HUMAN	Homo sapiens	3	0.7914
3',5'-cyclic-AMP phosphodiesterase 4D	Q08499	PDE4D_HUMAN	Homo sapiens	3	0.7914
Aldehyde dehydrogenase, dimeric NADP-preferring	P30838	AL3A1_HUMAN	Homo sapiens	3	0.7913
Aldehyde dehydrogenase, dimeric NADP-preferring	P30838	AL3A1_HUMAN	Homo sapiens	3	0.7913
Bromodomain-containing protein 4	O60885	BRD4_HUMAN	Homo sapiens	3	0.7892
Bromodomain-containing protein 4	O60885	BRD4_HUMAN	Homo sapiens	3	0.7892
Beta-secretase 1	P56817	BACE1_HUMAN	Homo sapiens	3	0.7843
Beta-secretase 1	P56817	BACE1_HUMAN	Homo sapiens	3	0.7843
Epidermal growth factor receptor	P00533	EGFR_HUMAN	Homo sapiens	3	0.7836
Epidermal growth factor receptor	P00533	EGFR_HUMAN	Homo sapiens	3	0.7836
Enoyl-[acyl-carrier-protein] reductase [NADH]	P9WGR1	INHA_MYCTU	Mycobacterium tuberculosis	3	0.7794
Enoyl-[acyl-carrier-protein] reductase [NADH]	P9WGR1	INHA_MYCTU	Mycobacterium tuberculosis	3	0.7794
Carbonic anhydrase 2	P00918	CAH2_HUMAN	Homo sapiens	2	0.7787
Carbonic anhydrase 2	P00918	CAH2_HUMAN	Homo sapiens	2	0.7787
Na(+):neurotransmitter symporter (Snf family)	O67854	O67854_AQUAE	Aquifex aeolicus	3	0.7782
Na(+):neurotransmitter symporter (Snf family)	O67854	O67854_AQUAE	Aquifex aeolicus	3	0.7782
Cytochrome P450 1A1	P04798	CP1A1_HUMAN	Homo sapiens	3	0.7772
Cytochrome P450 1A1	P04798	CP1A1_HUMAN	Homo sapiens	3	0.7772
cGMP-dependent 3',5'-cyclic phosphodiesterase	O00408	PDE2A_HUMAN	Homo sapiens	3	0.7770
cGMP-dependent 3',5'-cyclic phosphodiesterase	O00408	PDE2A_HUMAN	Homo sapiens	3	0.7770
Serine/threonine-protein kinase pim-1	P11309	PIM1_HUMAN	Homo sapiens	4	0.7767
Serine/threonine-protein kinase pim-1	P11309	PIM1_HUMAN	Homo sapiens	4	0.7767
Ribosyldihydronicotinamide dehydrogenase [quinone]	P16083	NQO2_HUMAN	Homo sapiens	3	0.7762
Ribosyldihydronicotinamide dehydrogenase [quinone]	P16083	NQO2_HUMAN	Homo sapiens	3	0.7762
Methionine aminopeptidase 2	P50579	MAP2_HUMAN	Homo sapiens	3	0.7734
Methionine aminopeptidase 2	P50579	MAP2_HUMAN	Homo sapiens	3	0.7734
Orf1ab polyprotein	Q6T1E9	Q6T1E9_CVHSA	SARS coronavirus CUHK-L2	3	0.7724
Orf1ab polyprotein	Q6T1E9	Q6T1E9_CVHSA	SARS coronavirus CUHK-L2	3	0.7724
Aldo-keto reductase family 1 member C3	P42330	AK1C3_HUMAN	Homo sapiens	3	0.7722
Aldo-keto reductase family 1 member C3	P42330	AK1C3_HUMAN	Homo sapiens	3	0.7722
Carbonic anhydrase 2	P00918	CAH2_HUMAN	Homo sapiens	2	0.7709
Carbonic anhydrase 2	P00918	CAH2_HUMAN	Homo sapiens	2	0.7709
Gag-Pol polyprotein	P05896	POL_SIVM1	Simian immunodeficiency virus	3	0.7678
Gag-Pol polyprotein	P05896	POL_SIVM1	Simian immunodeficiency virus	3	0.7678
Acetylcholinesterase	P21836	ACES_MOUSE	Mus musculus	2	0.7658
Acetylcholinesterase	P21836	ACES_MOUSE	Mus musculus	2	0.7658
Amine oxidase [flavin-containing] B	P27338	AOFB_HUMAN	Homo sapiens	3	0.7654
Amine oxidase [flavin-containing] B	P27338	AOFB_HUMAN	Homo sapiens	3	0.7654
Soluble acetylcholine receptor	Q8WSF8	Q8WSF8_APLCA	Aplysia californica	3	0.7642
Soluble acetylcholine receptor	Q8WSF8	Q8WSF8_APLCA	Aplysia californica	3	0.7642
Basic phospholipase A2 VRV-PL-VIIIa	P59071	PA2B8_DABRR	Daboia russelii	2	0.7637
Basic phospholipase A2 VRV-PL-VIIIa	P59071	PA2B8_DABRR	Daboia russelii	2	0.7637
Na(+):neurotransmitter symporter (Snf family)	O67854	O67854_AQUAE	Aquifex aeolicus	3	0.7606
Na(+):neurotransmitter symporter (Snf family)	O67854	O67854_AQUAE	Aquifex aeolicus	3	0.7606
Bromodomain-containing protein 4	O60885	BRD4_HUMAN	Homo sapiens	3	0.7601
Bromodomain-containing protein 4	O60885	BRD4_HUMAN	Homo sapiens	3	0.7601
Retinol dehydratase	Q26490	Q26490_SPOFR	Spodoptera frugiperda	4	0.7592
Retinol dehydratase	Q26490	Q26490_SPOFR	Spodoptera frugiperda	4	0.7592
Steroid Delta-isomerase	P00947	SDIS_COMTE	Comamonas testosteroni	3	0.7579
Steroid Delta-isomerase	P00947	SDIS_COMTE	Comamonas testosteroni	3	0.7579
Proto-oncogene tyrosine-protein kinase Src	P12931	SRC_HUMAN	Homo sapiens	3	0.7571
Proto-oncogene tyrosine-protein kinase Src	P12931	SRC_HUMAN	Homo sapiens	3	0.7571
Bromodomain-containing protein 4	O60885	BRD4_HUMAN	Homo sapiens	3	0.7560
Bromodomain-containing protein 4	O60885	BRD4_HUMAN	Homo sapiens	3	0.7560
Fibroblast growth factor receptor 2	P21802	FGFR2_HUMAN	Homo sapiens	3	0.7558
Fibroblast growth factor receptor 2	P21802	FGFR2_HUMAN	Homo sapiens	3	0.7558
Enoyl-acyl carrier protein reductase	Q6TEI5	Q6TEI5_PLABE	Plasmodium berghei	4	0.7544
Enoyl-acyl carrier protein reductase	Q6TEI5	Q6TEI5_PLABE	Plasmodium berghei	4	0.7544
Lactoylglutathione lyase	Q9CPU0	LGUL_MOUSE	Mus musculus	2	0.7530
Lactoylglutathione lyase	Q9CPU0	LGUL_MOUSE	Mus musculus	2	0.7530
Beta-1 adrenergic receptor	P07700	ADRB1_MELGA	Meleagris gallopavo	2	0.7509
Beta-1 adrenergic receptor	P07700	ADRB1_MELGA	Meleagris gallopavo	2	0.7509
Isoliquiritigenin 2'-O-methyltransferase	P93324	CHOMT_MEDSA	Medicago sativa	3	0.7506
Isoliquiritigenin 2'-O-methyltransferase	P93324	CHOMT_MEDSA	Medicago sativa	3	0.7506
Steroid Delta-isomerase	P00947	SDIS_COMTE	Comamonas testosteroni	2	0.7505
Steroid Delta-isomerase	P00947	SDIS_COMTE	Comamonas testosteroni	2	0.7505
Gag-Pol polyprotein	P12497	POL_HV1N5	Human immunodeficiency virus type 1 group M subtype B	2	0.7501
Gag-Pol polyprotein	P12497	POL_HV1N5	Human immunodeficiency virus type 1 group M subtype B	2	0.7501
Cytochrome P450 monooxygenase	Q5YNS8	Q5YNS8_NOCFA	Nocardia farcinica	3	0.7492
Cytochrome P450 monooxygenase	Q5YNS8	Q5YNS8_NOCFA	Nocardia farcinica	3	0.7492
Beta-lactamase	Q9L5C8	Q9L5C8_ECOLX	Escherichia coli	3	0.7470
Beta-lactamase	Q9L5C8	Q9L5C8_ECOLX	Escherichia coli	3	0.7470
Mycocyclosin synthase	P9WPP7	CP121_MYCTU	Mycobacterium tuberculosis	3	0.7464
Mycocyclosin synthase	P9WPP7	CP121_MYCTU	Mycobacterium tuberculosis	3	0.7464
Queuine tRNA-ribosyltransferase	P28720	TGT_ZYMMO	Zymomonas mobilis subsp. mobilis	3	0.7452
Queuine tRNA-ribosyltransferase	P28720	TGT_ZYMMO	Zymomonas mobilis subsp. mobilis	3	0.7452
Sulfotransferase 1E1	P49888	ST1E1_HUMAN	Homo sapiens	3	0.7439
Sulfotransferase 1E1	P49888	ST1E1_HUMAN	Homo sapiens	3	0.7439
Cytochrome b-c1 complex subunit 1, mitochondrial	P31800	QCR1_BOVIN	Bos taurus	3	0.7438
Cytochrome b-c1 complex subunit 1, mitochondrial	P31800	QCR1_BOVIN	Bos taurus	3	0.7438
Steroid Delta-isomerase	P07445	SDIS_PSEPU	Pseudomonas putida	2	0.7431
Steroid Delta-isomerase	P07445	SDIS_PSEPU	Pseudomonas putida	2	0.7431
FMN-dependent NAD(P)H:quinone oxidoreductase 1	Q9I5F3	AZOR1_PSEAE	Pseudomonas aeruginosa	2	0.7420
FMN-dependent NAD(P)H:quinone oxidoreductase 1	Q9I5F3	AZOR1_PSEAE	Pseudomonas aeruginosa	2	0.7420
Carbonic anhydrase 2	P00918	CAH2_HUMAN	Homo sapiens	3	0.7386
Carbonic anhydrase 2	P00918	CAH2_HUMAN	Homo sapiens	3	0.7386
Interstitial collagenase	P03956	MMP1_HUMAN	Homo sapiens	3	0.7366
Interstitial collagenase	P03956	MMP1_HUMAN	Homo sapiens	3	0.7366
Secoisolariciresinol dehydrogenase	Q94KL8	SILD_PODPE	Podophyllum peltatum	3	0.7352
Secoisolariciresinol dehydrogenase	Q94KL8	SILD_PODPE	Podophyllum peltatum	3	0.7352
Thymidylate synthase	P00469	TYSY_LACCA	Lacticaseibacillus casei	4	0.7351
Thymidylate synthase	P00469	TYSY_LACCA	Lacticaseibacillus casei	4	0.7351
Genome polyprotein	O92972	POLG_HCVJ4	Hepatitis C virus genotype 1b	3	0.7343
Death-associated protein kinase 1	P53355	DAPK1_HUMAN	Homo sapiens	4	0.7343
Genome polyprotein	O92972	POLG_HCVJ4	Hepatitis C virus genotype 1b	3	0.7343
Death-associated protein kinase 1	P53355	DAPK1_HUMAN	Homo sapiens	4	0.7343
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	Q9Y233	PDE10_HUMAN	Homo sapiens	3	0.7342
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	Q9Y233	PDE10_HUMAN	Homo sapiens	3	0.7342
Tetracycline repressor protein class D	P0ACT4	TETR4_ECOLX	Escherichia coli	3	0.7334
Tetracycline repressor protein class D	P0ACT4	TETR4_ECOLX	Escherichia coli	3	0.7334
Matrilysin	P09237	MMP7_HUMAN	Homo sapiens	3	0.7318
Matrilysin	P09237	MMP7_HUMAN	Homo sapiens	3	0.7318
Gag-Pol polyprotein	P12497	POL_HV1N5	Human immunodeficiency virus type 1 group M subtype B	2	0.7317
Gag-Pol polyprotein	P12497	POL_HV1N5	Human immunodeficiency virus type 1 group M subtype B	2	0.7317
GCN5-related N-acetyltransferase	B1YEL6	B1YEL6_EXIS2	Exiguobacterium sibiricum	3	0.7309
GCN5-related N-acetyltransferase	B1YEL6	B1YEL6_EXIS2	Exiguobacterium sibiricum	3	0.7309
GCN5-related N-acetyltransferase	B1YEL6	B1YEL6_EXIS2	Exiguobacterium sibiricum	3	0.7305
GCN5-related N-acetyltransferase	B1YEL6	B1YEL6_EXIS2	Exiguobacterium sibiricum	3	0.7305
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1	P04191	AT2A1_RABIT	Oryctolagus cuniculus	3	0.7303
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1	P04191	AT2A1_RABIT	Oryctolagus cuniculus	3	0.7303
Scytalone dehydratase	P56221	SCYD_MAGO7	Pyricularia oryzae	3	0.7299
Scytalone dehydratase	P56221	SCYD_MAGO7	Pyricularia oryzae	3	0.7299
Beta-secretase 1	P56817	BACE1_HUMAN	Homo sapiens	2	0.7292
Beta-secretase 1	P56817	BACE1_HUMAN	Homo sapiens	2	0.7292
Endothiapepsin	P11838	CARP_CRYPA	Cryphonectria parasitica	3	0.7286
Endothiapepsin	P11838	CARP_CRYPA	Cryphonectria parasitica	3	0.7286
Gag-Pol polyprotein	P12497	POL_HV1N5	Human immunodeficiency virus type 1 group M subtype B	3	0.7282
Gag-Pol polyprotein	P12497	POL_HV1N5	Human immunodeficiency virus type 1 group M subtype B	3	0.7282
Kelch-like ECH-associated protein 1	Q14145	KEAP1_HUMAN	Homo sapiens	3	0.7279
Kelch-like ECH-associated protein 1	Q14145	KEAP1_HUMAN	Homo sapiens	3	0.7279
Mu-type opioid receptor	P42866	OPRM_MOUSE	Mus musculus	3	0.7278
Mu-type opioid receptor	P42866	OPRM_MOUSE	Mus musculus	3	0.7278
Polymerase acidic protein	C3W5S0	C3W5S0_I09A0	Influenza A virus	2	0.7276
Polymerase acidic protein	C3W5S0	C3W5S0_I09A0	Influenza A virus	2	0.7276
Mitogen-activated protein kinase 14	Q16539	MK14_HUMAN	Homo sapiens	4	0.7271
Mitogen-activated protein kinase 14	Q16539	MK14_HUMAN	Homo sapiens	4	0.7271
Carbonic anhydrase 2	P00918	CAH2_HUMAN	Homo sapiens	2	0.7269
Carbonic anhydrase 2	P00918	CAH2_HUMAN	Homo sapiens	2	0.7269
Fatty acid-binding protein, intestinal	P12104	FABPI_HUMAN	Homo sapiens	3	0.7266
Fatty acid-binding protein, intestinal	P12104	FABPI_HUMAN	Homo sapiens	3	0.7266
2,7-dihydroxy-5-methyl-1-naphthoate 7-O-methyltransferase	Q84HC8	NCSB1_STRCZ	Streptomyces carzinostaticus	2	0.7264
2,7-dihydroxy-5-methyl-1-naphthoate 7-O-methyltransferase	Q84HC8	NCSB1_STRCZ	Streptomyces carzinostaticus	2	0.7264
Uridine phosphorylase	Q5XA29	Q5XA29_STRP6	Streptococcus pyogenes serotype M6	3	0.7258
Uridine phosphorylase	Q5XA29	Q5XA29_STRP6	Streptococcus pyogenes serotype M6	3	0.7258
Heat shock protein HSP 90-alpha	P07900	HS90A_HUMAN	Homo sapiens	3	0.7225
Heat shock protein HSP 90-alpha	P07900	HS90A_HUMAN	Homo sapiens	3	0.7225
Aldehyde dehydrogenase, mitochondrial	P05091	ALDH2_HUMAN	Homo sapiens	4	0.7219
Aldehyde dehydrogenase, mitochondrial	P05091	ALDH2_HUMAN	Homo sapiens	4	0.7219
Urokinase-type plasminogen activator	P00749	UROK_HUMAN	Homo sapiens	3	0.7214
Urokinase-type plasminogen activator	P00749	UROK_HUMAN	Homo sapiens	3	0.7214
Poly [ADP-ribose] polymerase tankyrase-2	Q9H2K2	TNKS2_HUMAN	Homo sapiens	4	0.7213
Poly [ADP-ribose] polymerase tankyrase-2	Q9H2K2	TNKS2_HUMAN	Homo sapiens	4	0.7213
Prostaglandin G/H synthase 2	Q05769	PGH2_MOUSE	Mus musculus	3	0.7193
Prostaglandin G/H synthase 2	Q05769	PGH2_MOUSE	Mus musculus	3	0.7193
Mitogen-activated protein kinase 10	P53779	MK10_HUMAN	Homo sapiens	3	0.7191
Mitogen-activated protein kinase 10	P53779	MK10_HUMAN	Homo sapiens	3	0.7191
Protease	O38896	O38896_9HIV1	Human immunodeficiency virus 1	2	0.7180
Protease	O38896	O38896_9HIV1	Human immunodeficiency virus 1	2	0.7180
Enoyl-ACP reductase	Q9BJJ9	Q9BJJ9_PLAFA	Plasmodium falciparum	3	0.7178
Enoyl-ACP reductase	Q9BJJ9	Q9BJJ9_PLAFA	Plasmodium falciparum	3	0.7178
Carbonic anhydrase 2	P00918	CAH2_HUMAN	Homo sapiens	3	0.7166
Carbonic anhydrase 2	P00918	CAH2_HUMAN	Homo sapiens	3	0.7166
IOMT 3	Q06YR3	Q06YR3_MEDTR	Medicago truncatula	3	0.7161
IOMT 3	Q06YR3	Q06YR3_MEDTR	Medicago truncatula	3	0.7161
Sterol 14-alpha demethylase	Q7Z1V1	CP51_TRYCC	Trypanosoma cruzi	3	0.7157
Sterol 14-alpha demethylase	Q7Z1V1	CP51_TRYCC	Trypanosoma cruzi	3	0.7157
Succinate dehydrogenase flavoprotein subunit	P0AC41	SDHA_ECOLI	Escherichia coli	3	0.7156
Succinate dehydrogenase flavoprotein subunit	P0AC41	SDHA_ECOLI	Escherichia coli	3	0.7156
Peroxisome proliferator-activated receptor gamma	P37231	PPARG_HUMAN	Homo sapiens	4	0.7155
Peroxisome proliferator-activated receptor gamma	P37231	PPARG_HUMAN	Homo sapiens	4	0.7155
Stromelysin-1	P08254	MMP3_HUMAN	Homo sapiens	2	0.7154
Stromelysin-1	P08254	MMP3_HUMAN	Homo sapiens	2	0.7154
Thiamine-phosphate synthase	P39594	THIE_BACSU	Bacillus subtilis	2	0.7149
Thiamine-phosphate synthase	P39594	THIE_BACSU	Bacillus subtilis	2	0.7149
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2	Q9R1E6	ENPP2_MOUSE	Mus musculus	3	0.7145
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2	Q9R1E6	ENPP2_MOUSE	Mus musculus	3	0.7145
Mitogen-activated protein kinase 8	P45983	MK08_HUMAN	Homo sapiens	3	0.7139
Mitogen-activated protein kinase 8	P45983	MK08_HUMAN	Homo sapiens	3	0.7139
Sulfotransferase 2A1	Q06520	ST2A1_HUMAN	Homo sapiens	3	0.7132
Sulfotransferase 2A1	Q06520	ST2A1_HUMAN	Homo sapiens	3	0.7132
Pheromone-binding protein ASP1	Q9U9J6	Q9U9J6_APIME	Apis mellifera	2	0.7129
Pheromone-binding protein ASP1	Q9U9J6	Q9U9J6_APIME	Apis mellifera	2	0.7129
Beta-secretase 1	P56817	BACE1_HUMAN	Homo sapiens	2	0.7125
Beta-secretase 1	P56817	BACE1_HUMAN	Homo sapiens	2	0.7125
Pol protein	Q000H7	Q000H7_9HIV1	Human immunodeficiency virus 1	3	0.7125
Pol protein	Q000H7	Q000H7_9HIV1	Human immunodeficiency virus 1	3	0.7125
Rhodopsin kinase GRK1	P28327	GRK1_BOVIN	Bos taurus	3	0.7123
Rhodopsin kinase GRK1	P28327	GRK1_BOVIN	Bos taurus	3	0.7123
Oxygen-insensitive NAD(P)H nitroreductase	P38489	NFSB_ECOLI	Escherichia coli	3	0.7117
Poly [ADP-ribose] polymerase tankyrase-2	Q9H2K2	TNKS2_HUMAN	Homo sapiens	4	0.7117
Oxygen-insensitive NAD(P)H nitroreductase	P38489	NFSB_ECOLI	Escherichia coli	3	0.7117
Poly [ADP-ribose] polymerase tankyrase-2	Q9H2K2	TNKS2_HUMAN	Homo sapiens	4	0.7117
Scytalone dehydratase	P56221	SCYD_MAGO7	Pyricularia oryzae	3	0.7108
Mycocyclosin synthase	P9WPP7	CP121_MYCTU	Mycobacterium tuberculosis	3	0.7108
Scytalone dehydratase	P56221	SCYD_MAGO7	Pyricularia oryzae	3	0.7108
Mycocyclosin synthase	P9WPP7	CP121_MYCTU	Mycobacterium tuberculosis	3	0.7108
Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase	Q05603	COBT_SALTY	Salmonella typhimurium	2	0.7107
Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase	Q05603	COBT_SALTY	Salmonella typhimurium	2	0.7107
Cytochrome P450 monooxygenase	Q5YNS8	Q5YNS8_NOCFA	Nocardia farcinica	3	0.7098
Cytochrome P450 monooxygenase	Q5YNS8	Q5YNS8_NOCFA	Nocardia farcinica	3	0.7098
Serine/threonine-protein kinase 24	Q9Y6E0	STK24_HUMAN	Homo sapiens	3	0.7092
Serine/threonine-protein kinase 24	Q9Y6E0	STK24_HUMAN	Homo sapiens	3	0.7092
Tetracycline repressor protein class D	P0ACT4	TETR4_ECOLX	Escherichia coli	3	0.7079
Tetracycline repressor protein class D	P0ACT4	TETR4_ECOLX	Escherichia coli	3	0.7079
Succinate dehydrogenase flavoprotein subunit	P0AC41	SDHA_ECOLI	Escherichia coli	3	0.7073
Succinate dehydrogenase flavoprotein subunit	P0AC41	SDHA_ECOLI	Escherichia coli	3	0.7073
Gag-Pol polyprotein	P03369	POL_HV1A2	Human immunodeficiency virus type 1 group M subtype B	2	0.7063
Gag-Pol polyprotein	P03369	POL_HV1A2	Human immunodeficiency virus type 1 group M subtype B	2	0.7063
Genome polyprotein	P26663	POLG_HCVBK	Hepatitis C virus genotype 1b	2	0.7062
Genome polyprotein	P26663	POLG_HCVBK	Hepatitis C virus genotype 1b	2	0.7062
Peroxisome proliferator-activated receptor gamma	P37231	PPARG_HUMAN	Homo sapiens	3	0.7057
Peroxisome proliferator-activated receptor gamma	P37231	PPARG_HUMAN	Homo sapiens	3	0.7057
tyrosine--tRNA ligase	Q4QFJ7	Q4QFJ7_LEIMA	Leishmania major	3	0.7051
tyrosine--tRNA ligase	Q4QFJ7	Q4QFJ7_LEIMA	Leishmania major	3	0.7051
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A	O76083	PDE9A_HUMAN	Homo sapiens	3	0.7049
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A	O76083	PDE9A_HUMAN	Homo sapiens	3	0.7049
Enoyl-acyl carrier reductase	Q6UCJ9	Q6UCJ9_TOXGO	Toxoplasma gondii	3	0.7046
Enoyl-acyl carrier reductase	Q6UCJ9	Q6UCJ9_TOXGO	Toxoplasma gondii	3	0.7046
Enoyl-[acyl-carrier-protein] reductase [NADH]	P9WGR1	INHA_MYCTU	Mycobacterium tuberculosis	3	0.7035
Enoyl-[acyl-carrier-protein] reductase [NADH]	P9WGR1	INHA_MYCTU	Mycobacterium tuberculosis	3	0.7035
Prolyl endopeptidase	P23687	PPCE_PIG	Sus scrofa	3	0.7033
Prolyl endopeptidase	P23687	PPCE_PIG	Sus scrofa	3	0.7033
Enoyl-ACP reductase	Q9BJJ9	Q9BJJ9_PLAFA	Plasmodium falciparum	3	0.7014
Enoyl-ACP reductase	Q9BJJ9	Q9BJJ9_PLAFA	Plasmodium falciparum	3	0.7014
Proto-oncogene tyrosine-protein kinase Src	P00523	SRC_CHICK	Gallus gallus	2	0.7013
Genome polyprotein	P26663	POLG_HCVBK	Hepatitis C virus genotype 1b	2	0.7013
Proto-oncogene tyrosine-protein kinase Src	P00523	SRC_CHICK	Gallus gallus	2	0.7013
Genome polyprotein	P26663	POLG_HCVBK	Hepatitis C virus genotype 1b	2	0.7013
Isoflavone-7-O-methyltransferase 8	O24529	7OMT8_MEDSA	Medicago sativa	4	0.7011
Isoflavone-7-O-methyltransferase 8	O24529	7OMT8_MEDSA	Medicago sativa	4	0.7011
Activin receptor type-1	Q04771	ACVR1_HUMAN	Homo sapiens	3	0.7009
Activin receptor type-1	Q04771	ACVR1_HUMAN	Homo sapiens	3	0.7009
Beta-galactoside-specific lectin 4	Q6ITZ3	ML4_VISAL	Viscum album	2	0.7000
Beta-galactoside-specific lectin 4	Q6ITZ3	ML4_VISAL	Viscum album	2	0.7000

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