QuartataWeb
Home  |   About  |   Theory  |   Tutorials  |   FAQ  |   Bahar Lab  |   Statistics
 

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: P10276
No. Gene UniProt ID Protein Name Pathway PDB
1 RARA P10276 Retinoic acid receptor alpha hsa04659; hsa04915; hsa05200; hsa05202; hsa05221 1DKF; 1DSZ; 3A9E; 3KMR; 3KMZ; 4DQM


9 known interactions (drugs) of input target (RARA): Retinoic acid receptor alpha
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Withdrawn SmallMoleculeDrug DB00926 Etretinate Thumb
2 Approved SmallMoleculeDrug DB00982 Isotretinoin Thumb
3 Approved;
Investigational		 SmallMoleculeDrug DB00523 Alitretinoin Thumb
4 Approved;
Investigational		 SmallMoleculeDrug DB00799 Tazarotene Thumb
5 Investigational SmallMoleculeDrug DB05785 LGD-1550 Thumb
6 Approved;
Investigational		 SmallMoleculeDrug DB04942 Tamibarotene Thumb
7 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00755 Tretinoin Thumb
8 Approved SmallMoleculeDrug DB00210 Adapalene Thumb
9 Approved SmallMoleculeDrug DB00459 Acitretin Thumb


20 predicted interactions (drugs) of input target (RARA): Retinoic acid receptor alpha
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Experimental SmallMoleculeDrug DB02877 Arotinoid acid Thumb 47.4%
2 Approved;
Investigational		 SmallMoleculeDrug DB00307 Bexarotene Thumb 35.8%
3 Approved;
Investigational		 SmallMoleculeDrug DB03756 Doconexent Thumb 31.6%
4 Approved;
Investigational		 SmallMoleculeDrug DB01393 Bezafibrate Thumb 30.6%
5 Experimental SmallMoleculeDrug DB02741 CD564 Thumb 30.4%
6 Approved;
Nutraceutical;
Vet approved		 SmallMoleculeDrug DB04272 Citric Acid Thumb 29.0%
7 Experimental SmallMoleculeDrug DB03466 BMS184394 Thumb 27.8%
8 Experimental SmallMoleculeDrug DB07031 3-Fluoro-4-{[(2R)-2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl)acetyl]amino}benzoic acid Thumb 27.3%
9 Approved;
Investigational		 SmallMoleculeDrug DB00412 Rosiglitazone Thumb 26.6%
10 Experimental SmallMoleculeDrug DB07294 3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic acid Thumb 26.5%
11 Experimental SmallMoleculeDrug DB02258 SR11254 Thumb 25.7%
12 Experimental SmallMoleculeDrug DB02746 Phthalic Acid Thumb 25.2%
13 Experimental SmallMoleculeDrug DB07358 2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide Thumb 22.7%
14 Investigational SmallMoleculeDrug DB05467 R667 Thumb 21.8%
15 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB00749 Etodolac Thumb 20.4%
16 Experimental SmallMoleculeDrug DB02466 4-[3-Oxo-3-(5,5,8,8-Tetramethyl-5,6,7,8-Tetrahydro-Naphthalen-2-Yl)-Propenyl]-Benzoic Acid Thumb 20.2%
17 Experimental SmallMoleculeDrug DB07929 N-(TERT-BUTYL)-3,5-DIMETHYL-N'-[(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)CARBONYL]BENZOHYDRAZIDE Thumb 20.1%
18 Approved;
Nutraceutical		 SmallMoleculeDrug DB01436 Alfacalcidol Thumb 19.6%
19 Experimental SmallMoleculeDrug DB08356 4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol Thumb 19.3%
20 Experimental SmallMoleculeDrug DB03459 Sparfosic acid Thumb 18.9%


  logl

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.

Contact:

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.