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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: O75469

No.	Gene	UniProt ID	Protein Name	Pathway	PDB
1	NR1I2	O75469	Nuclear receptor subfamily 1 group I member 2	NA	1ILG; 1ILH; 1M13; 1NRL; 1SKX; 2O9I; 2QNV; 3CTB; 3HVL; 3R8D; 4J5W; 4J5X; 4NY9; 4S0S; 4S0T; 4X1F; 4X1G; 4XAO; 4XHD; 5A86

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Image
1	Approved	SmallMoleculeDrug	DB00421	Spironolactone	[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@]([H])(CC2=CC(=O)CC[C@]12C)SC(C)=O
2	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
3	Approved; Investigational	SmallMoleculeDrug	DB00255	Diethylstilbestrol	CCC(=C(CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
4	Investigational; Withdrawn	SmallMoleculeDrug	DB00532	Mephenytoin	CCC1(NC(=O)N(C)C1=O)C1=CC=CC=C1
5	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
6	Approved; Withdrawn	SmallMoleculeDrug	DB00431	Lindane	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl
7	Experimental; Investigational	SmallMoleculeDrug	DB04216	Quercetin	OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1
8	Approved	SmallMoleculeDrug	DB01045	Rifampicin	CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C2=C(O)C(\C=N\N4CCN(C)CC4)=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(O)=C2C(O)=C3C
9	Approved	SmallMoleculeDrug	DB01138	Sulfinpyrazone	O=C1C(CCS(=O)C2=CC=CC=C2)C(=O)N(N1C1=CC=CC=C1)C1=CC=CC=C1
10	Nutraceutical	SmallMoleculeDrug	DB01892	Hyperforin	CC(C)C(=O)[C@@]12C(O)=C(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O
11	Approved	SmallMoleculeDrug	DB01039	Fenofibrate	CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1
12	Approved	SmallMoleculeDrug	DB01115	Nifedipine	COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OC
13	Approved; Nutraceutical; Vet approved	SmallMoleculeDrug	DB14002	D-alpha-Tocopherol acetate	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(C)C(OC(C)=O)=C(C)C(C)=C2O1
14	Approved; Investigational; Vet approved	SmallMoleculeDrug	DB00312	Pentobarbital	CCCC(C)C1(CC)C(=O)NC(=O)NC1=O
15	Approved; Investigational	SmallMoleculeDrug	DB08604	Triclosan	OC1=CC(Cl)=CC=C1OC1=C(Cl)C=C(Cl)C=C1
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	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
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	Approved; Withdrawn	SmallMoleculeDrug	DB04824	Phenolphthalein	OC1=CC=C(C=C1)C1(OC(=O)C2=CC=CC=C12)C1=CC=C(O)C=C1
20	Investigational	SmallMoleculeDrug	DB01645	Genistein	OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O
21	Approved; Investigational	SmallMoleculeDrug	DB01220	Rifaximin	CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C)C(O)=C4C(O)=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C1=C(N=C5C=C(C)C=CN15)C4=C3C2=O
22	Approved	SmallMoleculeDrug	DB00239	Oxiconazole	ClC1=CC(Cl)=C(CO\N=C(/CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C=C1
23	Approved; Investigational	SmallMoleculeDrug	DB00499	Flutamide	CC(C)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F
24	Approved	SmallMoleculeDrug	DB11087	Pyrethrum extract	NA
25	Approved	SmallMoleculeDrug	DB01181	Ifosfamide	ClCCNP1(=O)OCCCN1CCCl
26	Approved; Investigational	SmallMoleculeDrug	DB01393	Bezafibrate	CC(C)(OC1=CC=C(CCNC(=O)C2=CC=C(Cl)C=C2)C=C1)C(O)=O
27	Approved; Nutraceutical; Vet approved	SmallMoleculeDrug	DB00163	Vitamin E	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C
28	Approved	SmallMoleculeDrug	DB08864	Rilpivirine	CC1=CC(\C=C\C#N)=CC(C)=C1NC1=CC=NC(NC2=CC=C(C=C2)C#N)=N1
29	Approved	SmallMoleculeDrug	DB00849	Methylphenobarbital	CCC1(C(=O)NC(=O)N(C)C1=O)C1=CC=CC=C1
30	Approved	SmallMoleculeDrug	DB00754	Ethotoin	CCN1C(=O)NC(C1=O)C1=CC=CC=C1
31	Approved; Experimental; Investigational	SmallMoleculeDrug	DB02789	Pregnenolone	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(C)=O
32	Approved	SmallMoleculeDrug	DB06777	Chenodeoxycholic acid	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O
33	Approved; Investigational	SmallMoleculeDrug	DB00564	Carbamazepine	NC(=O)N1C2=CC=CC=C2C=CC2=CC=CC=C12
34	Approved; Investigational	SmallMoleculeDrug	DB00503	Ritonavir	CC(C)[C@H](NC(=O)N(C)CC1=CSC(=N1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)OCC1=CN=CS1)CC1=CC=CC=C1
35	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
36	Approved; Investigational	SmallMoleculeDrug	DB00531	Cyclophosphamide	ClCCN(CCCl)P1(=O)NCCCO1
37	Investigational	SmallMoleculeDrug	DB12582	Piperine	O=C(\C=C\C=C\C1=CC2=C(OCO2)C=C1)N1CCCCC1
38	Experimental	SmallMoleculeDrug	DB04466	SR12813	CCOP(=O)(OCC)C(=CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C)P(=O)(OCC)OCC
39	Approved	SmallMoleculeDrug	DB01127	Econazole	ClC1=CC=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1
40	Approved; Investigational	SmallMoleculeDrug	DB04930	Permethrin	CC1(C)C(C=C(Cl)Cl)C1C(=O)OCC1=CC(OC2=CC=CC=C2)=CC=C1
41	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
42	Approved; Investigational	SmallMoleculeDrug	DB01026	Ketoconazole	CC(=O)N1CCN(CC1)C1=CC=C(OCC2COC(CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1
43	Approved; Vet approved	SmallMoleculeDrug	DB01229	Paclitaxel	[H][C@]12[C@H](OC(=O)C3=CC=CC=C3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C4=CC=CC=C4)C4=CC=CC=C4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C
44	Approved	SmallMoleculeDrug	DB00682	Warfarin	CC(=O)CC(C1=CC=CC=C1)C1=C(O)C2=C(OC1=O)C=CC=C2
45	Approved; Investigational	SmallMoleculeDrug	DB00834	Mifepristone	[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H]
46	Approved; Vet approved	SmallMoleculeDrug	DB00257	Clotrimazole	ClC1=CC=CC=C1C(N1C=CN=C1)(C1=CC=CC=C1)C1=CC=CC=C1
47	Approved	SmallMoleculeDrug	DB13179	Troleandomycin	CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3OC(C)=O)N(C)C)[C@@H](C)C[C@@]3(CO3)C(=O)[C@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1OC(C)=O
48	Approved; Investigational	SmallMoleculeDrug	DB00530	Erlotinib	COCCOC1=CC2=C(C=C1OCCOC)C(NC1=CC(=CC=C1)C#C)=NC=N2
49	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
50	Approved; Nutraceutical; Vet approved	SmallMoleculeDrug	DB14001	alpha-Tocopherol succinate	[H][C@@](C)(CCCC(C)C)CCC[C@@]([H])(C)CCC[C@]1(C)CCC2=C(C)C(OC(=O)CCC(O)=O)=C(C)C(C)=C2O1
51	Approved	SmallMoleculeDrug	DB13873	Fenofibric acid	CC(C)(OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1)C(O)=O
52	Approved; Investigational; Vet approved	SmallMoleculeDrug	DB01234	Dexamethasone	[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
53	Approved; Investigational	SmallMoleculeDrug	DB01248	Docetaxel	[H][C@@]12C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C5=CC=CC=C5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1=CC=CC=C1
54	Approved	SmallMoleculeDrug	DB11605	Myrrh	NA
55	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
56	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
57	Approved; Investigational	SmallMoleculeDrug	DB01174	Phenobarbital	CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1
58	Approved; Illicit	SmallMoleculeDrug	DB01068	Clonazepam	[O-][N+](=O)C1=CC2=C(NC(=O)CN=C2C2=CC=CC=C2Cl)C=C1
59	Approved; Experimental; Investigational	SmallMoleculeDrug	DB02709	Resveratrol	OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1
60	Withdrawn	SmallMoleculeDrug	DB07931	Hexestrol	[H][C@](CC)(C1=CC=C(O)C=C1)[C@]([H])(CC)C1=CC=C(O)C=C1
61	Approved; Vet approved	SmallMoleculeDrug	DB00252	Phenytoin	O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1
62	Approved; Investigational; Vet approved	SmallMoleculeDrug	DB01110	Miconazole	ClC1=CC(Cl)=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1
63	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
64	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; Vet approved	SmallMoleculeDrug	DB01159	Halothane	FC(F)(F)C(Cl)Br		54.3%
2	Experimental	SmallMoleculeDrug	DB06732	beta-Naphthoflavone	O=C1C=C(OC2=C1C1=CC=CC=C1C=C2)C1=CC=CC=C1		48.6%
3	Approved	SmallMoleculeDrug	DB09089	Trimebutine	CCC(COC(=O)C1=CC(OC)=C(OC)C(OC)=C1)(N(C)C)C1=CC=CC=C1		47.3%
4	Illicit; Investigational	SmallMoleculeDrug	DB02901	Stanolone	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C		45.7%
5	Approved; Investigational	SmallMoleculeDrug	DB00179	Masoprocol	C[C@@H](CC1=CC(O)=C(O)C=C1)[C@H](C)CC1=CC(O)=C(O)C=C1		44.3%
6	Approved	SmallMoleculeDrug	DB11619	Gestrinone	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H]		43.4%
7	Experimental	SmallMoleculeDrug	DB03467	Naringenin	[H][C@]1(CC(=O)C2=C(O1)C=C(O)C=C2O)C1=CC=C(O)C=C1		42.9%
8	Approved	SmallMoleculeDrug	DB00898	Ethanol	CCO		42.7%
9	Approved; Investigational	SmallMoleculeDrug	DB01169	Arsenic trioxide	O=[As]O[As]=O		42.7%
10	Investigational; Withdrawn	SmallMoleculeDrug	DB00197	Troglitazone	CC1=C(C)C2=C(CCC(C)(COC3=CC=C(CC4SC(=O)NC4=O)C=C3)O2)C(C)=C1O		40.0%
11	Approved; Vet approved	SmallMoleculeDrug	DB00418	Secobarbital	CCCC(C)C1(CC=C)C(=O)NC(=O)NC1=O		39.1%
12	Approved; Investigational; Vet approved	SmallMoleculeDrug	DB00721	Procaine	CCN(CC)CCOC(=O)C1=CC=C(N)C=C1		38.8%
13	Approved; Withdrawn	SmallMoleculeDrug	DB11148	Butamben	CCCCOC(=O)C1=CC=C(N)C=C1		37.9%
14	Approved; Investigational	SmallMoleculeDrug	DB11064	Homosalate	NA		37.8%
15	Approved; Investigational; Vet approved	SmallMoleculeDrug	DB00228	Enflurane	FC(F)OC(F)(F)C(F)Cl		37.3%
16	Experimental	SmallMoleculeDrug	DB08342	S-PALMITOYL-L-CYSTEINE	[H][C@](N)(CSC(=O)CCCCCCCCCCCCCCC)C(O)=O		37.3%
17	Approved; Vet approved	SmallMoleculeDrug	DB01154	Thiamylal	CCCC(C)C1(CC=C)C(=O)NC(=S)NC1=O		37.0%
18	Experimental	SmallMoleculeDrug	DB02746	Phthalic Acid	OC(=O)C1=CC=CC=C1C(O)=O		36.6%
19	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		36.3%
20	Approved; Investigational	SmallMoleculeDrug	DB09231	Benidipine	COC(=O)C1=C(C)NC(C)=C([C@@H]1C1=CC=CC(=C1)[N+]([O-])=O)C(=O)O[C@@H]1CCCN(CC2=CC=CC=C2)C1		35.9%