QuartataWeb
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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: P52848
No. Gene UniProt ID Protein Name Pathway PDB
1 NDST1 P52848 Bifunctional heparan sulfate N-deacetylase/N-sulfotransferase 1 hsa00534; hsa01100 1NST


1 known interactions (drugs) of input target (NDST1): Bifunctional heparan sulfate N-deacetylase/N-sulfotransferase 1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB01812 Adenosine-3'-5'-Diphosphate Thumb


20 predicted interactions (drugs) of input target (NDST1): Bifunctional heparan sulfate N-deacetylase/N-sulfotransferase 1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Approved;
Investigational		 SmallMoleculeDrug DB11638 Artenimol Thumb 18.4%
2 Experimental SmallMoleculeDrug DB04445 Mercuric iodide Thumb 15.5%
3 Nutraceutical SmallMoleculeDrug DB00116 Tetrahydrofolic acid Thumb 14.9%
4 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB01708 Prasterone Thumb 14.7%
5 Experimental SmallMoleculeDrug DB02098 Adenosine-2'-5'-Diphosphate Thumb 13.9%
6 Approved SmallMoleculeDrug DB00898 Ethanol Thumb 13.6%
7 Approved SmallMoleculeDrug DB08907 Canagliflozin Thumb 13.3%
8 Experimental SmallMoleculeDrug DB03309 N-Cyclohexyltaurine Thumb 13.2%
9 Approved;
Nutraceutical		 SmallMoleculeDrug DB00128 L-Aspartic Acid Thumb 13.1%
10 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00114 Pyridoxal Phosphate Thumb 12.3%
11 Approved;
Experimental;
Investigational		 SmallMoleculeDrug DB02789 Pregnenolone Thumb 11.9%
12 Experimental SmallMoleculeDrug DB01752 S-adenosyl-L-homocysteine Thumb 11.9%
13 Experimental SmallMoleculeDrug DB08231 Myristic acid Thumb 11.6%
14 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB00720 Clodronic Acid Thumb 11.5%
15 Experimental SmallMoleculeDrug DB02902 3'-Phosphate-Adenosine-5'-Phosphate Sulfate Thumb 11.5%
16 Approved;
Experimental		 SmallMoleculeDrug DB03017 Lauric Acid Thumb 11.4%
17 Experimental SmallMoleculeDrug DB02854 Aetiocholanolone Thumb 10.5%
18 Approved SmallMoleculeDrug DB00200 Hydroxocobalamin Thumb 10.1%
19 Experimental SmallMoleculeDrug DB03346 3,5,3',5'-Tetrachloro-Biphenyl-4,4'-Diol Thumb 10.1%
20 Experimental SmallMoleculeDrug DB03900 2-Methyl-2-Propanol Thumb 10.0%


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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.