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: P47989
No. Gene UniProt ID Protein Name Pathway PDB
1 XDH P47989 Xanthine dehydrogenase/oxidase hsa00230; hsa00232; hsa00983; hsa01100; hsa04146 2CKJ; 2E1Q


9 known interactions (drugs) of input target (XDH): Xanthine dehydrogenase/oxidase
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Investigational SmallMoleculeDrug DB03516 Eniluracil Thumb
2 Approved SmallMoleculeDrug DB03147 Flavin adenine dinucleotide Thumb
3 Approved;
Investigational		 SmallMoleculeDrug DB00583 L-Carnitine Thumb
4 Approved;
Investigational		 SmallMoleculeDrug DB01685 Topiroxostat Thumb
5 Approved SmallMoleculeDrug DB00437 Allopurinol Thumb
6 Approved SmallMoleculeDrug DB04854 Febuxostat Thumb
7 Experimental SmallMoleculeDrug DB03328 dioxothiomolybdenum(VI) ion Thumb
8 Investigational SmallMoleculeDrug DB05262 Oxypurinol Thumb
9 Experimental SmallMoleculeDrug DB03841 Y-700 Thumb


20 predicted interactions (drugs) of input target (XDH): Xanthine dehydrogenase/oxidase
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Experimental SmallMoleculeDrug DB07930 (3R)-3-HYDROXYDODECANOIC ACID Thumb 29.6%
2 Approved;
Investigational		 SmallMoleculeDrug DB01074 Perhexiline Thumb 22.4%
3 Approved SmallMoleculeDrug DB09283 Trapidil Thumb 22.0%
4 Approved;
Nutraceutical		 SmallMoleculeDrug DB00142 Glutamic Acid Thumb 21.4%
5 Experimental SmallMoleculeDrug DB03541 10-Propargyl-5,8-Dideazafolic Acid Thumb 20.5%
6 Approved;
Investigational		 SmallMoleculeDrug DB03247 Flavin mononucleotide Thumb 20.2%
7 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB01381 Ginkgo biloba Thumb 19.1%
8 Approved SmallMoleculeDrug DB00201 Caffeine Thumb 18.7%
9 Approved;
Investigational		 SmallMoleculeDrug DB09034 Suvorexant Thumb 18.3%
10 Approved SmallMoleculeDrug DB00594 Amiloride Thumb 18.2%
11 Experimental SmallMoleculeDrug DB04166 Anthranilic acid Thumb 18.2%
12 Approved SmallMoleculeDrug DB06616 Bosutinib Thumb 17.4%
13 Approved;
Nutraceutical;
Vet approved		 SmallMoleculeDrug DB00145 Glycine Thumb 17.4%
14 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00755 Tretinoin Thumb 17.2%
15 Withdrawn SmallMoleculeDrug DB07931 Hexestrol Thumb 16.9%
16 Investigational SmallMoleculeDrug DB05075 TG-100801 Thumb 16.4%
17 Experimental SmallMoleculeDrug DB01917 Putrescine Thumb 16.3%
18 Approved;
Nutraceutical;
Vet approved		 SmallMoleculeDrug DB01065 Melatonin Thumb 16.3%
19 Approved BiotechDrug DB13979 Besilesomab Thumb 16.1%
20 Experimental SmallMoleculeDrug DB03189 Cu-Cyclam Thumb 16.1%


  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.