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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: Q96RI1

No.	Gene	UniProt ID	Protein Name	Pathway	PDB
1	NR1H4	Q96RI1	Bile acid receptor	hsa04976	1OSH; 1OSK; 3BEJ; 3DCT; 3DCU; 3FLI; 3FXV; 3GD2; 3HC5; 3HC6; 3L1B; 3OKH; 3OKI; 3OLF; 3OMK; 3OMM; 3OOF; 3OOK; 3P88; 3P89; 3RUT; 3RUU; 3RVF; 4OIV; 4QE6; 4QE8; 4WVD

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Image
1	Approved; Nutraceutical	SmallMoleculeDrug	DB00132	Alpha-Linolenic Acid	CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O
2	Experimental	SmallMoleculeDrug	DB02545	Fexaramine	COC(=O)\C=C\C1=CC(=CC=C1)N(CC1=CC=C(C=C1)C1=CC=C(C=C1)N(C)C)C(=O)C1CCCCC1
3	Approved	SmallMoleculeDrug	DB11605	Myrrh	NA
4	Approved	SmallMoleculeDrug	DB05990	Obeticholic acid	[H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)[C@]([H])(CC)[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C
5	Experimental	SmallMoleculeDrug	DB08220	(8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C=C(CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(O)=O)C(=O)C1=CC=C(O)C=C1
6	Experimental	SmallMoleculeDrug	DB04348	Taurocholic 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])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=O
7	Experimental	SmallMoleculeDrug	DB02509	Farnesol	CC(C)=CCC\C(C)=C/CC\C(C)=C/CO
8	Approved	SmallMoleculeDrug	DB03619	Deoxycholic Acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C
9	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
10	Approved	SmallMoleculeDrug	DB02659	Cholic Acid	[H][C@@](C)(CCC(O)=O)[C@@]1([H])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])C[C@]([H])(O)[C@]12C
11	Experimental	SmallMoleculeDrug	DB04557	Arachidonic Acid	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O
12	Approved; Investigational	SmallMoleculeDrug	DB01586	Ursodeoxycholic 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

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Image	Confidence score
1	Approved; Withdrawn	SmallMoleculeDrug	DB11148	Butamben	CCCCOC(=O)C1=CC=C(N)C=C1		29.7%
2	Investigational	SmallMoleculeDrug	DB12695	Phenethyl Isothiocyanate	S=C=NCCC1=CC=CC=C1		29.2%
3	Experimental; Investigational	SmallMoleculeDrug	DB03496	Alvocidib	CN1CC[C@@H]([C@H](O)C1)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC=CC=C1Cl		28.2%
4	Approved; Nutraceutical	SmallMoleculeDrug	DB00157	NADH	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		27.3%
5	Approved	SmallMoleculeDrug	DB00675	Tamoxifen	CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1		26.3%
6	Approved; Investigational	SmallMoleculeDrug	DB11638	Artenimol	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)C([H])(O)O[C@]3([H])O[C@@]4(C)CC[C@]1([H])[C@@]23OO4		23.8%
7	Approved; Investigational	SmallMoleculeDrug	DB12010	Fostamatinib	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC		23.6%
8	Approved; Investigational; Vet approved	SmallMoleculeDrug	DB01392	Yohimbine	[H][C@@]12CC[C@H](O)[C@H](C(=O)OC)[C@@]1([H])C[C@]1([H])N(CCC3=C1NC1=CC=CC=C31)C2		23.5%
9	Approved; Investigational	SmallMoleculeDrug	DB01393	Bezafibrate	CC(C)(OC1=CC=C(CCNC(=O)C2=CC=C(Cl)C=C2)C=C1)C(O)=O		22.7%
10	Approved; Nutraceutical	SmallMoleculeDrug	DB00159	Icosapent	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O		22.5%
11	Experimental	SmallMoleculeDrug	DB04464	N-Formylmethionine	[H][C@@](CCSC)(NC=O)C(O)=O		22.4%
12	Approved; Investigational; Vet approved	SmallMoleculeDrug	DB04224	Oleic Acid	CCCCCCCC\C=C\CCCCCCCC(O)=O		22.3%
13	Experimental	SmallMoleculeDrug	DB02266	Flufenamic Acid	OC(=O)C1=CC=CC=C1NC1=CC(=CC=C1)C(F)(F)F		22.2%
14	Experimental	SmallMoleculeDrug	DB07768	(10ALPHA,13ALPHA,14BETA,17ALPHA)-17-HYDROXYANDROST-4-EN-3-ONE	[H][C@@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C		22.1%
15	Experimental	SmallMoleculeDrug	DB02379	Beta-D-Glucose	OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O		22.0%
16	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		21.6%
17	Experimental	SmallMoleculeDrug	DB02733	Purvalanol	[H][C@@](CO)(NC1=NC2=C(N=CN2C(C)C)C(NC2=CC=C(C(O)=O)C(Cl)=C2)=N1)C(C)C		21.5%
18	Approved	SmallMoleculeDrug	DB00210	Adapalene	COC1=C(C=C(C=C1)C1=CC2=C(C=C1)C=C(C=C2)C(O)=O)C12CC3CC(CC(C3)C1)C2		21.5%
19	Approved; Nutraceutical	SmallMoleculeDrug	DB13961	Fish oil	NA		21.3%
20	Approved; Investigational	SmallMoleculeDrug	DB09568	Omega-3-carboxylic acids	NA		21.3%