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Network of interactions between drugs (red spheres) and targets (blue spheres) is displayed above.
The red lines are used for the predicted interactions and the thickness of edges indicate the confidence score of predictions.

Results:

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Data source: DrugBank-all; Query type: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: Q92731

No.	Gene	UniProt ID	Protein Name	Pathway	PDB
1	ESR2	Q92731	Estrogen receptor beta	hsa01522; hsa04915; hsa04917; hsa05200; hsa05224	1L2J; 1NDE; 1QKM; 1U3Q; 1U3R; 1U3S; 1U9E; 1X76; 1X78; 1X7B; 1X7J; 1YY4; 1YYE; 1ZAF; 2FSZ; 2GIU; 2I0G; 2JJ3; 2NV7; 2QTU; 2YJD; 2YLY; 2Z4B; 3OLL; 3OLS; 3OMO; 3OMP; 3OMQ; 4J24; 4J26

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Image
1	Experimental	SmallMoleculeDrug	DB07702	(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-TRIENE-3,16,17-TRIOL	[H][C@@]1(O)C[C@@]2([H])[C@]3([H])CCC4=CC(O)=CC=C4[C@@]3([H])CC[C@]2(C)[C@]1([H])O
2	Approved; Investigational	SmallMoleculeDrug	DB00255	Diethylstilbestrol	CCC(=C(CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
3	Approved; Investigational; Vet approved	SmallMoleculeDrug	DB13954	Estradiol cypionate	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(O)=CC=C4[C@@]3([H])CC[C@]12C)OC(=O)CCC1CCCC1
4	Approved	SmallMoleculeDrug	DB01428	Oxybenzone	COC1=CC(O)=C(C=C1)C(=O)C1=CC=CC=C1
5	Experimental; Investigational	SmallMoleculeDrug	DB04216	Quercetin	OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1
6	Experimental	SmallMoleculeDrug	DB04020	4-(2-{[4-{[3-(4-Chlorophenyl)Propyl]Sulfanyl}-6-(1-Piperazinyl)-1,3,5-Triazin-2-Yl]Amino}Ethyl)Phenol	OC1=CC=C(CCNC2=NC(SCCCC3=CC=C(Cl)C=C3)=NC(=N2)N2CCNCC2)C=C1
7	Approved; Investigational; Vet approved	SmallMoleculeDrug	DB04573	Estriol	[H][C@@]12C[C@@H](O)[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3
8	Experimental	SmallMoleculeDrug	DB07638	(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL	[H][C@@]12CC(F)(F)C[C@]1([H])[C@@]([H])(OC1=C2C=C(O)C=C1)C1=CC=C(O)C=C1
9	Experimental	SmallMoleculeDrug	DB07032	2-(4-HYDROXY-PHENYL)BENZOFURAN-5-OL	OC1=CC=C(C=C1)C1=CC2=C(O1)C=CC(O)=C2
10	Approved	SmallMoleculeDrug	DB09086	Eugenol	COC1=C(O)C=CC(CC=C)=C1
11	Experimental	SmallMoleculeDrug	DB06927	[5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-YL]ACETONITRILE	OC1=CC=C(C=C1)C1=CC2=C(O1)C(CC#N)=CC(O)=C2
12	Experimental	SmallMoleculeDrug	DB07757	(9aS)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one	CCCC[C@]12CC3=CC(O)=CC=C3C1=C(Br)C(=O)CC2
13	Investigational	SmallMoleculeDrug	DB05966	TAS-108	OC(=O)CC(O)(CC(O)=O)C(O)=O.CCN(CC)CC1=CC=C(OCC[C@H]2CC[C@H]3[C@@H]4[C@H](C)CC5=C(C=CC(O)=C5)[C@H]4CC[C@]23C)C(OC)=C1
14	Experimental	SmallMoleculeDrug	DB02746	Phthalic Acid	OC(=O)C1=CC=CC=C1C(O)=O
15	Approved; Investigational	SmallMoleculeDrug	DB00481	Raloxifene	OC1=CC=C(C=C1)C1=C(C(=O)C2=CC=C(OCCN3CCCCC3)C=C2)C2=C(S1)C=C(O)C=C2
16	Investigational	SmallMoleculeDrug	DB04468	Afimoxifene	CC\C(=C(/C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1
17	Experimental; Investigational	SmallMoleculeDrug	DB07933	Erteberel	[H][C@@]12CCC[C@]1([H])[C@@]([H])(OC1=C2C=C(O)C=C1)C1=CC=C(O)C=C1
18	Approved	SmallMoleculeDrug	DB00675	Tamoxifen	CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1
19	Investigational	SmallMoleculeDrug	DB01645	Genistein	OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O
20	Experimental	SmallMoleculeDrug	DB06875	3-(3-FLUORO-4-HYDROXYPHENYL)-7-HYDROXY-1-NAPHTHONITRILE	OC1=CC=C2C=C(C=C(C#N)C2=C1)C1=CC=C(O)C(F)=C1
21	Experimental	SmallMoleculeDrug	DB07036	(3aS,4R,9bR)-2,2-difluoro-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol	[H][C@@]12CC(F)(F)C[C@]1([H])[C@@]([H])(OC1=C2C=C(O)C=C1COC)C1=CC=C(O)C=C1
22	Approved; Investigational	SmallMoleculeDrug	DB01196	Estramustine	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OC(=O)N(CCCl)CCCl)C=C3CC[C@@]21[H]
23	Experimental	SmallMoleculeDrug	DB07230	3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-1H-INDEN-1-ONE	OC1=CC=C(C=C1)C1=C(Br)C2=C(C=C(O)C=C2)C1=O
24	Experimental	SmallMoleculeDrug	DB08020	(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL	[H][C@@]12CCC[C@]1([H])[C@@]([H])(OC1=C2C=C(O)C=C1COC)C1=CC=C(O)C=C1
25	Investigational	SmallMoleculeDrug	DB05052	MF101	NA
26	Approved; Investigational	SmallMoleculeDrug	DB06202	Lasofoxifene	[H][C@@]1(CCC2=CC(O)=CC=C2[C@@]1([H])C1=CC=C(OCCN2CCCC2)C=C1)C1=CC=CC=C1
27	Investigational	SmallMoleculeDrug	DB05882	CHF 4227	NA
28	Experimental	SmallMoleculeDrug	DB06832	2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZOL-5-OL	OC1=CC2=C(OC(=N2)C2=CC=C(O)C(F)=C2)C(C=C)=C1
29	Experimental	SmallMoleculeDrug	DB07198	5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-CARBONITRILE	OC1=CC=C(C=C1)C1=CC2=C(O1)C(=CC(O)=C2)C#N
30	Approved; Investigational	SmallMoleculeDrug	DB09535	Octocrylene	NA
31	Approved	SmallMoleculeDrug	DB00655	Estrone	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3
32	Approved; Investigational; Vet approved	SmallMoleculeDrug	DB13956	Estradiol valerate	[H][C@@]12CC[C@H](OC(=O)CCCC)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3
33	Experimental	SmallMoleculeDrug	DB03860	N-Butyl-11-[(7r,8r,9s,13s,14s,17s)-3,17-Dihydroxy-13-Methyl-7,8,9,11,12,13,14,15,16,17-Decahydro-6h-Cyclopenta[a]Phenanthren-7-Yl]-N-Methylundecanamide	[H][C@]1(O)CC[C@@]2([H])[C@]3([H])[C@]([H])(CCCCCCCCCCC(=O)N(C)CCCC)CC4=CC(O)=CC=C4[C@@]3([H])CC[C@]12C
34	Experimental	SmallMoleculeDrug	DB07236	3-(6-HYDROXY-NAPHTHALEN-2-YL)-BENZO[D]ISOOXAZOL-6-OL	OC1=CC2=C(C=C1)C(=NO2)C1=CC2=C(C=C1)C=C(O)C=C2
35	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB01708	Prasterone	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@]([H])(O)CC[C@]12C
36	Approved; Investigational; Vet approved; Withdrawn	SmallMoleculeDrug	DB01108	Trilostane	[H][C@]12O[C@]11CC[C@@]3([H])[C@]4([H])CC[C@H](O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC(C#N)=C2O
37	Approved; Investigational	SmallMoleculeDrug	DB06249	Arzoxifene	COC1=CC=C(C=C1)C1=C(OC2=CC=C(OCCN3CCCCC3)C=C2)C2=C(S1)C=C(O)C=C2
38	Experimental	SmallMoleculeDrug	DB03467	Naringenin	[H][C@]1(CC(=O)C2=C(O1)C=C(O)C=C2O)C1=CC=C(O)C=C1
39	Experimental	SmallMoleculeDrug	DB07150	4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME	O\N=C\C1=C2C=CC=CC2=C(C=C1)C1=CC=C(O)C=C1
40	Experimental	SmallMoleculeDrug	DB07009	2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-BENZOOXAZOL-6-OL	OC1=CC2=C(C=C1)N=C(O2)C1=C2C=CC=C(O)C2=CC=C1
41	Approved; Investigational; Vet approved	SmallMoleculeDrug	DB13952	Estradiol acetate	[H][C@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=CC(OC(C)=O)=CC=C4[C@@]3([H])CC[C@]12C
42	Experimental	SmallMoleculeDrug	DB02983	Para-Mercury-Benzenesulfonic Acid	OS(=O)(=O)C1=CC=C([Hg])C=C1
43	Experimental	SmallMoleculeDrug	DB06937	4-(6-HYDROXY-BENZO[D]ISOXAZOL-3-YL)BENZENE-1,3-DIOL	OC1=CC2=C(C=C1)C(=NO2)C1=C(O)C=C(O)C=C1
44	Approved	SmallMoleculeDrug	DB04574	Estrone sulfate	C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(OS(O)(=O)=O)=C4)[C@@H]1CCC2=O
45	Investigational	SmallMoleculeDrug	DB11674	Equol	OC1=CC=C(C=C1)[C@H]1COC2=C(C1)C=CC(O)=C2
46	Experimental	SmallMoleculeDrug	DB02757	Pyrazole	N1C=CC=N1
47	Experimental	SmallMoleculeDrug	DB13869	2-Methoxy-6-{(E)-[(4-methylphenyl)imino]methyl}phenol	COC1=C(O)C(\C=N\C2=CC=C(C)C=C2)=CC=C1
48	Approved; Investigational; Vet approved	SmallMoleculeDrug	DB13955	Estradiol dienanthate	CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(OC(=O)CCCCCC)=CC=C4[C@H]3CC[C@]12C
49	Experimental	SmallMoleculeDrug	DB03882	5-Alpha-Androstane-3-Beta,17beta-Diol	[H][C@]1(O)CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C
50	Approved; Investigational; Vet approved	SmallMoleculeDrug	DB00783	Estradiol	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3
51	Approved; Investigational	SmallMoleculeDrug	DB06401	Bazedoxifene	CC1=C(N(CC2=CC=C(OCCN3CCCCCC3)C=C2)C2=C1C=C(O)C=C2)C1=CC=C(O)C=C1
52	Experimental	SmallMoleculeDrug	DB07119	1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL	OC1=CC=C(C=C1)C1=CC=C2C(C=CC(O)=C2Cl)=C1
53	Approved	SmallMoleculeDrug	DB01878	Benzophenone	O=C(C1=CC=CC=C1)C1=CC=CC=C1
54	Approved	SmallMoleculeDrug	DB11219	Enzacamene	CC1=CC=C(\C=C2/C3CCC(C)(C2=O)C3(C)C)C=C1
55	Approved; Investigational; Vet approved	SmallMoleculeDrug	DB13953	Estradiol benzoate	[H][C@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=CC(OC(=O)C5=CC=CC=C5)=CC=C4[C@@]3([H])CC[C@]12C

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Image	Confidence score
1	Approved; Withdrawn	SmallMoleculeDrug	DB00431	Lindane	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl		70.5%
2	Approved	SmallMoleculeDrug	DB09371	Norethynodrel	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])CC(=O)CC3		59.7%
3	Approved; Investigational	SmallMoleculeDrug	DB00294	Etonogestrel	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC(=C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]		54.7%
4	Approved	SmallMoleculeDrug	DB00977	Ethinyl Estradiol	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3		54.0%
5	Approved	SmallMoleculeDrug	DB11619	Gestrinone	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H]		52.8%
6	Approved; Investigational	SmallMoleculeDrug	DB01593	Zinc	[Zn]		52.5%
7	Experimental	SmallMoleculeDrug	DB04471	2-Phenyl-1-[4-(2-Piperidin-1-Yl-Ethoxy)-Phenyl]-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol	OC1=CC=C2[C@H](N(CCC2=C1)C1=CC=CC=C1)C1=CC=C(OCCN2CCCCC2)C=C1		52.4%
8	Approved; Withdrawn	SmallMoleculeDrug	DB04824	Phenolphthalein	OC1=CC=C(C=C1)C1(OC(=O)C2=CC=CC=C12)C1=CC=C(O)C=C1		52.2%
9	Approved	SmallMoleculeDrug	DB09318	Synthetic Conjugated Estrogens, B	NA		51.8%
10	Approved	SmallMoleculeDrug	DB00648	Mitotane	ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=CC=C1Cl		51.6%
11	Approved	SmallMoleculeDrug	DB01357	Mestranol	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC)C=C3		49.8%
12	Experimental	SmallMoleculeDrug	DB08595	4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL	[H][C@]12CC=C(C)[C@]([H])(C1)[C@@]([H])(OC2(C)C)C1=CC=C(O)C=C1		49.1%
13	Approved	SmallMoleculeDrug	DB09369	Polyestradiol phosphate	NA		49.1%
14	Approved; Investigational	SmallMoleculeDrug	DB11064	Homosalate	NA		49.1%
15	Approved; Vet approved	SmallMoleculeDrug	DB00396	Progesterone	[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C		48.8%
16	Experimental	SmallMoleculeDrug	DB07087	4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL	[H][C@]1(C)CC[C@]2(CO)CO[C@]([H])(C3=CC=C(O)C=C3)[C@@]1([H])[C@@]2([H])C		48.6%
17	Approved	SmallMoleculeDrug	DB00823	Ethynodiol diacetate	[H][C@@]12CC[C@@](OC(C)=O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CC[C@H](OC(C)=O)C=C3CC[C@@]21[H]		48.5%
18	Experimental	SmallMoleculeDrug	DB07080	N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE	OC(C1=CC=C(C=C1)N(CC(F)(F)F)S(=O)(=O)C1=CC=CC=C1)(C(F)(F)F)C(F)(F)F		47.8%
19	Withdrawn	SmallMoleculeDrug	DB07931	Hexestrol	[H][C@](CC)(C1=CC=C(O)C=C1)[C@]([H])(CC)C1=CC=C(O)C=C1		47.7%
20	Experimental	SmallMoleculeDrug	DB07678	(9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL	[H]\C(CC)=C(/[H])C1=C(O)C=C2CC[C@@]3([H])[C@]4([H])CC[C@]([H])(O)[C@@]4(C)CC[C@]3([H])C2=C1		47.6%