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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.

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

12 known interactions (drugs) of input target (NR1H4): Bile acid receptor
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
1 Approved;
SmallMoleculeDrug DB00132 Alpha-Linolenic Acid Thumb
2 Experimental SmallMoleculeDrug DB02545 Fexaramine Thumb
3 Approved SmallMoleculeDrug DB11605 Myrrh Thumb
4 Approved SmallMoleculeDrug DB05990 Obeticholic acid Thumb
5 Experimental SmallMoleculeDrug DB08220 (8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid Thumb
6 Experimental SmallMoleculeDrug DB04348 Taurocholic Acid Thumb
7 Experimental SmallMoleculeDrug DB02509 Farnesol Thumb
8 Approved SmallMoleculeDrug DB03619 Deoxycholic Acid Thumb
9 Approved SmallMoleculeDrug DB06777 Chenodeoxycholic acid Thumb
10 Approved SmallMoleculeDrug DB02659 Cholic Acid Thumb
11 Experimental SmallMoleculeDrug DB04557 Arachidonic Acid Thumb
12 Approved;
SmallMoleculeDrug DB01586 Ursodeoxycholic acid Thumb

20 predicted interactions (drugs) of input target (NR1H4): Bile acid receptor
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image Confidence score
1 Approved;
SmallMoleculeDrug DB11148 Butamben Thumb 29.7%
2 Investigational SmallMoleculeDrug DB12695 Phenethyl Isothiocyanate Thumb 29.2%
3 Experimental;
SmallMoleculeDrug DB03496 Alvocidib Thumb 28.2%
4 Approved;
SmallMoleculeDrug DB00157 NADH Thumb 27.3%
5 Approved SmallMoleculeDrug DB00675 Tamoxifen Thumb 26.3%
6 Approved;
SmallMoleculeDrug DB11638 Artenimol Thumb 23.8%
7 Approved;
SmallMoleculeDrug DB12010 Fostamatinib Thumb 23.6%
8 Approved;
Vet approved
SmallMoleculeDrug DB01392 Yohimbine Thumb 23.5%
9 Approved;
SmallMoleculeDrug DB01393 Bezafibrate Thumb 22.7%
10 Approved;
SmallMoleculeDrug DB00159 Icosapent Thumb 22.5%
11 Experimental SmallMoleculeDrug DB04464 N-Formylmethionine Thumb 22.4%
12 Approved;
Vet approved
SmallMoleculeDrug DB04224 Oleic Acid Thumb 22.3%
13 Experimental SmallMoleculeDrug DB02266 Flufenamic Acid Thumb 22.2%
14 Experimental SmallMoleculeDrug DB07768 (10ALPHA,13ALPHA,14BETA,17ALPHA)-17-HYDROXYANDROST-4-EN-3-ONE Thumb 22.1%
15 Experimental SmallMoleculeDrug DB02379 Beta-D-Glucose Thumb 22.0%
16 Approved;
Vet approved
SmallMoleculeDrug DB14001 alpha-Tocopherol succinate Thumb 21.6%
17 Experimental SmallMoleculeDrug DB02733 Purvalanol Thumb 21.5%
18 Approved SmallMoleculeDrug DB00210 Adapalene Thumb 21.5%
19 Approved;
SmallMoleculeDrug DB13961 Fish oil Thumb 21.3%
20 Approved;
SmallMoleculeDrug DB09568 Omega-3-carboxylic acids Thumb 21.3%


Reference:  Hongchun Li, Fen Pei, D. Lansing Taylor and Ivet Bahar. (2020) QuartataWeb: Integrated Chemical–Protein-Pathway Mapping for Polypharmacology and Chemogenomics. Bioinformatics 36(12), 3935–3937.


The QuartataWeb server is maintained by the Bahar Lab at the Department of Computational & Systems Biology at the University of Pittsburgh, School of Medicine, and sponsored by the NIH awards P41 GM103712 and P01 DK096990; and by the Li Lab at Research Center for Computer-Aided Drug Discovery at Shenzhen Institutes of Advanced Technology, CAS.

For questions and comments please contact Hongchun Li.