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: Q8TCT1
No. Gene UniProt ID Protein Name Pathway PDB
1 PHOSPHO1 Q8TCT1 Phosphoethanolamine/phosphocholine phosphatase hsa00564; hsa01100 NA


2 known interactions (drugs) of input target (PHOSPHO1): Phosphoethanolamine/phosphocholine phosphatase
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 (PHOSPHO1): Phosphoethanolamine/phosphocholine phosphatase
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Investigational SmallMoleculeDrug DB05301 LAX-101 Thumb 19.5%
2 Experimental SmallMoleculeDrug DB03814 2-(N-Morpholino)-Ethanesulfonic Acid Thumb 18.8%
3 Experimental SmallMoleculeDrug DB08562 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID Thumb 18.1%
4 Approved SmallMoleculeDrug DB00674 Galantamine Thumb 17.5%
5 Approved SmallMoleculeDrug DB01199 Tubocurarine Thumb 17.3%
6 Approved;
Nutraceutical		 SmallMoleculeDrug DB00157 NADH Thumb 16.2%
7 Approved;
Investigational		 SmallMoleculeDrug DB11638 Artenimol Thumb 16.1%
8 Approved SmallMoleculeDrug DB03128 Acetylcholine Thumb 16.0%
9 Approved;
Investigational		 SmallMoleculeDrug DB00657 Mecamylamine Thumb 15.8%
10 Investigational SmallMoleculeDrug DB04892 Phenserine Thumb 15.6%
11 Approved;
Vet approved		 SmallMoleculeDrug DB01221 Ketamine Thumb 14.7%
12 Approved SmallMoleculeDrug DB01226 Mivacurium Thumb 14.1%
13 Approved;
Vet approved		 SmallMoleculeDrug DB00733 Pralidoxime Thumb 13.7%
14 Investigational;
Nutraceutical		 SmallMoleculeDrug DB00171 ATP Thumb 13.6%
15 Approved SmallMoleculeDrug DB01010 Edrophonium Thumb 13.0%
16 Approved;
Illicit		 SmallMoleculeDrug DB01352 Aprobarbital Thumb 12.6%
17 Approved;
Investigational		 SmallMoleculeDrug DB01151 Desipramine Thumb 12.5%
18 Experimental SmallMoleculeDrug DB04250 Butyrylthiocholine Thumb 12.3%
19 Approved;
Investigational		 SmallMoleculeDrug DB00545 Pyridostigmine Thumb 12.2%
20 Experimental SmallMoleculeDrug DB07940 9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE Thumb 12.2%


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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.