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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: P06276
No. Gene UniProt ID Protein Name Pathway PDB
1 BCHE P06276 Cholinesterase NA

30 known interactions (drugs) of input target (BCHE): Cholinesterase
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
1 Approved;
SmallMoleculeDrug DB00989 Rivastigmine Thumb
2 Approved SmallMoleculeDrug DB01057 Echothiophate Thumb
3 Approved;
Vet approved
SmallMoleculeDrug DB01221 Ketamine Thumb
4 Experimental SmallMoleculeDrug DB03672 9-N-Phenylmethylamino-Tacrine Thumb
5 Experimental SmallMoleculeDrug DB08658 ETHYL HYDROGEN DIETHYLAMIDOPHOSPHATE Thumb
6 Experimental SmallMoleculeDrug DB08201 (1S)-menthyl hexyl phosphonate group Thumb
7 Approved;
SmallMoleculeDrug DB00122 Choline Thumb
8 Investigational SmallMoleculeDrug DB04892 Phenserine Thumb
9 Experimental SmallMoleculeDrug DB07940 9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE Thumb
10 Approved;
SmallMoleculeDrug DB00772 Malathion Thumb
11 Approved SmallMoleculeDrug DB00944 Demecarium Thumb
12 Approved;
SmallMoleculeDrug DB00545 Pyridostigmine Thumb
13 Investigational;
SmallMoleculeDrug DB00382 Tacrine Thumb
14 Experimental SmallMoleculeDrug DB03814 2-(N-Morpholino)-Ethanesulfonic Acid Thumb
15 Approved SmallMoleculeDrug DB00449 Dipivefrin Thumb
16 Experimental SmallMoleculeDrug DB08200 (1R)-menthyl hexyl phosphonate group Thumb
17 Approved SmallMoleculeDrug DB01010 Edrophonium Thumb
18 Approved SmallMoleculeDrug DB01226 Mivacurium Thumb
19 Approved SmallMoleculeDrug DB00674 Galantamine Thumb
20 Experimental SmallMoleculeDrug DB04250 Butyrylthiocholine Thumb
21 Experimental SmallMoleculeDrug DB07681 DODECANESULFONATE ION Thumb
22 Experimental SmallMoleculeDrug DB02811 Diethylphosphono Group Thumb
23 Approved;
SmallMoleculeDrug DB14006 Choline salicylate Thumb
24 Experimental SmallMoleculeDrug DB03822 Ethyl Dihydrogen Phosphate Thumb
25 Approved SmallMoleculeDrug DB00941 Hexafluronium Thumb
26 Experimental;
SmallMoleculeDrug DB03568 Butyric Acid Thumb
27 Experimental SmallMoleculeDrug DB02845 Methylphosphinic Acid Thumb
28 Approved;
SmallMoleculeDrug DB00677 Isoflurophate Thumb
29 Approved;
Vet approved
SmallMoleculeDrug DB00733 Pralidoxime Thumb
30 Approved SmallMoleculeDrug DB00863 Ranitidine Thumb

20 predicted interactions (drugs) of input target (BCHE): Cholinesterase
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image Confidence score
1 Approved SmallMoleculeDrug DB00805 Minaprine Thumb 50.0%
2 Approved SmallMoleculeDrug DB00411 Carbachol Thumb 46.4%
3 Experimental SmallMoleculeDrug DB04114 3-Chloro-9-Ethyl-6,7,8,9,10,11-Hexahydro-7,11-Methanocycloocta[B]Quinolin-12-Amine Thumb 43.2%
4 Approved;
SmallMoleculeDrug DB01233 Metoclopramide Thumb 43.0%
5 Approved SmallMoleculeDrug DB00843 Donepezil Thumb 41.7%
6 Approved SmallMoleculeDrug DB03128 Acetylcholine Thumb 41.3%
7 Approved SmallMoleculeDrug DB01199 Tubocurarine Thumb 40.3%
8 Experimental SmallMoleculeDrug DB08357 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE Thumb 39.8%
9 Investigational SmallMoleculeDrug DB04859 Zanapezil Thumb 39.7%
10 Experimental SmallMoleculeDrug DB04021 MF268 Thumb 38.2%
11 Experimental SmallMoleculeDrug DB02343 3,6,9,12,15-Pentaoxaheptadecane Thumb 37.7%
12 Experimental SmallMoleculeDrug DB07846 1S,3AS,8AS-TRIMETHYL-1-OXIDO-1,2,3,3A,8,8A-HEXAHYDROPYRROLO[2,3-B]INDOL-5-YL 2-ETHYLPHENYLCARBAMATE Thumb 37.6%
13 Experimental SmallMoleculeDrug DB07756 1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-3-YL)METHYL]THIO}METHYL)PHENYL]-2,2,2-TRIFLUOROETHANE-1,1-DIOL Thumb 37.4%
14 Approved SmallMoleculeDrug DB00483 Gallamine Triethiodide Thumb 37.2%
15 Experimental SmallMoleculeDrug DB08615 2-[4-(DIMETHYLAMINO)PHENYL]-6-HYDROXY-3-METHYL-1,3-BENZOTHIAZOL-3-IUM Thumb 36.5%
16 Approved;
SmallMoleculeDrug DB12010 Fostamatinib Thumb 36.1%
17 Experimental SmallMoleculeDrug DB02825 Methylphosphonic Acid Ester Group Thumb 34.6%
18 Approved;
SmallMoleculeDrug DB08996 Dimetacrine Thumb 34.2%
19 Approved SmallMoleculeDrug DB13503 Tyrothricin Thumb 33.9%
20 Experimental;
SmallMoleculeDrug DB08167 Methylthioninium Thumb 33.7%


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.


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.