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: Q9Y5K3
No. Gene UniProt ID Protein Name Pathway PDB
1 PCYT1B Q9Y5K3 Choline-phosphate cytidylyltransferase B hsa00440; hsa00564; hsa01100; hsa05231 NA


2 known interactions (drugs) of input target (PCYT1B): Choline-phosphate cytidylyltransferase B
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Nutraceutical		 SmallMoleculeDrug DB00122 Choline Thumb
2 Approved;
Nutraceutical		 SmallMoleculeDrug DB14006 Choline salicylate Thumb


20 predicted interactions (drugs) of input target (PCYT1B): Choline-phosphate cytidylyltransferase B
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Approved SmallMoleculeDrug DB03128 Acetylcholine Thumb 18.9%
2 Investigational SmallMoleculeDrug DB05301 LAX-101 Thumb 18.9%
3 Experimental SmallMoleculeDrug DB03814 2-(N-Morpholino)-Ethanesulfonic Acid Thumb 17.5%
4 Investigational SmallMoleculeDrug DB04892 Phenserine Thumb 17.2%
5 Approved SmallMoleculeDrug DB01199 Tubocurarine Thumb 17.0%
6 Approved SmallMoleculeDrug DB00674 Galantamine Thumb 16.9%
7 Investigational SmallMoleculeDrug DB05137 Lobeline Thumb 16.2%
8 Approved;
Investigational		 SmallMoleculeDrug DB03247 Flavin mononucleotide Thumb 15.5%
9 Approved;
Vet approved		 SmallMoleculeDrug DB00733 Pralidoxime Thumb 15.5%
10 Approved;
Investigational;
Withdrawn		 SmallMoleculeDrug DB00677 Isoflurophate Thumb 15.2%
11 Experimental SmallMoleculeDrug DB04444 Tetrafluoroaluminate Ion Thumb 14.4%
12 Investigational SmallMoleculeDrug DB05708 GTS-21 Thumb 14.3%
13 Approved;
Investigational		 SmallMoleculeDrug DB00981 Physostigmine Thumb 13.8%
14 Experimental SmallMoleculeDrug DB02811 Diethylphosphono Group Thumb 13.0%
15 Approved;
Investigational		 SmallMoleculeDrug DB00545 Pyridostigmine Thumb 12.9%
16 Approved SmallMoleculeDrug DB01355 Hexobarbital Thumb 12.8%
17 Approved SmallMoleculeDrug DB00898 Ethanol Thumb 12.8%
18 Approved;
Investigational		 SmallMoleculeDrug DB00989 Rivastigmine Thumb 12.6%
19 Investigational SmallMoleculeDrug DB11726 Encenicline Thumb 12.6%
20 Investigational SmallMoleculeDrug DB05961 PPL-100 Thumb 12.6%


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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.