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: P22303
No. Gene UniProt ID Protein Name Pathway PDB
1 ACHE P22303 Acetylcholinesterase hsa00564; hsa04725 1B41; 1F8U; 1PUV; 1PUW; 1VZJ; 2CLJ; 2X8B; 3LII; 4BDT; 4EY4; 4EY5; 4EY6; 4EY7; 4EY8; 4M0E; 4M0F; 4PQE

59 known interactions (drugs) of input target (ACHE): Acetylcholinesterase
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
1 Approved SmallMoleculeDrug DB01122 Ambenonium Thumb
2 Approved;
SmallMoleculeDrug DB00989 Rivastigmine Thumb
3 Experimental SmallMoleculeDrug DB03005 3,8-Diamino-6-Phenyl-5-[6-[1-[2-[(1,2,3,4-Tetrahydro-9-Acridinyl)Amino]Ethyl]-1h-1,2,3-Triazol-5-Yl]Hexyl]-Phenanthridinium Thumb
4 Approved SmallMoleculeDrug DB01245 Decamethonium Thumb
5 Experimental SmallMoleculeDrug DB01805 Monoisopropylphosphorylserine Thumb
6 Approved;
SmallMoleculeDrug DB00981 Physostigmine Thumb
7 Experimental SmallMoleculeDrug DB08615 2-[4-(DIMETHYLAMINO)PHENYL]-6-HYDROXY-3-METHYL-1,3-BENZOTHIAZOL-3-IUM Thumb
8 Approved SmallMoleculeDrug DB00449 Dipivefrin Thumb
9 Experimental SmallMoleculeDrug DB04616 TACRINE(8)-4-AMINOQUINOLINE Thumb
10 Experimental SmallMoleculeDrug DB02404 1-Deoxy-1-Thio-Heptaethylene Glycol Thumb
11 Experimental SmallMoleculeDrug DB02825 Methylphosphonic Acid Ester Group Thumb
12 Experimental SmallMoleculeDrug DB04556 3-[(1s)-1-(Dimethylamino)Ethyl]Phenol Thumb
13 Approved SmallMoleculeDrug DB00843 Donepezil Thumb
14 Approved;
SmallMoleculeDrug DB00122 Choline Thumb
15 Investigational SmallMoleculeDrug DB04892 Phenserine Thumb
16 Experimental SmallMoleculeDrug DB08357 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE Thumb
17 Experimental SmallMoleculeDrug DB02673 (4ar,6s,8ar)-11-[8-(1,3-Dioxo-1,3-Dihydro-2h-Isoindol-2-Yl)Octyl]-6-Hydroxy-3-Methoxy-5,6,9,10-Tetrahydro-4ah-[1]Benzofuro[3a,3,2-Ef][2]Benzazepin-11-Ium Thumb
18 Experimental SmallMoleculeDrug DB04114 3-Chloro-9-Ethyl-6,7,8,9,10,11-Hexahydro-7,11-Methanocycloocta[B]Quinolin-12-Amine Thumb
19 Approved SmallMoleculeDrug DB00944 Demecarium Thumb
20 Approved SmallMoleculeDrug DB00805 Minaprine Thumb
21 Approved;
SmallMoleculeDrug DB00545 Pyridostigmine Thumb
22 Experimental SmallMoleculeDrug DB07701 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE Thumb
23 Investigational;
SmallMoleculeDrug DB00382 Tacrine Thumb
24 Experimental SmallMoleculeDrug DB04615 (S)-tacrine(10)-hupyridone Thumb
25 Experimental SmallMoleculeDrug DB07555 Hydroxy(oxo)(2-{(1S)-2,2,2-trifluoro-1-[2-(trimethylarsonio)ethoxy]ethyl}phenyl)ammonium Thumb
26 Experimental;
SmallMoleculeDrug DB08167 Methylthioninium Thumb
27 Approved SmallMoleculeDrug DB00411 Carbachol Thumb
28 Approved SmallMoleculeDrug DB03128 Acetylcholine Thumb
29 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
30 Approved SmallMoleculeDrug DB01010 Edrophonium Thumb
31 Approved SmallMoleculeDrug DB01199 Tubocurarine Thumb
32 Approved SmallMoleculeDrug DB13503 Tyrothricin Thumb
33 Experimental SmallMoleculeDrug DB02343 3,6,9,12,15-Pentaoxaheptadecane Thumb
34 Experimental SmallMoleculeDrug DB02166 Propidium Thumb
35 Approved;
SmallMoleculeDrug DB04864 Huperzine A Thumb
36 Approved SmallMoleculeDrug DB00674 Galantamine Thumb
37 Approved;
Vet approved
SmallMoleculeDrug DB01400 Neostigmine Thumb
38 Approved SmallMoleculeDrug DB00483 Gallamine Triethiodide Thumb
39 Experimental SmallMoleculeDrug DB03814 2-(N-Morpholino)-Ethanesulfonic Acid Thumb
40 Approved;
SmallMoleculeDrug DB14006 Choline salicylate Thumb
41 Experimental SmallMoleculeDrug DB03359 M-(N,N,N-Trimethylammonio)-2,2,2-Trifluoro-1,1-Dihydroxyethylbenzene Thumb
42 Experimental SmallMoleculeDrug DB02226 3,8-Diamino-6-Phenyl-5-[6-[1-[2-[(1,2,3,4-Tetrahydro-9-Acridinyl)Amino]Ethyl]-1h-1,2,3-Triazol-4-Yl]Hexyl]-Phenanthridinium Thumb
43 Investigational SmallMoleculeDrug DB04859 Zanapezil Thumb
44 Approved SmallMoleculeDrug DB01364 Ephedrine Thumb
45 Investigational SmallMoleculeDrug DB06525 Ganstigmine Thumb
46 Experimental SmallMoleculeDrug DB04617 (9S)-9-[(8-AMMONIOOCTYL)AMINO]-1,2,3,4,9,10-HEXAHYDROACRIDINIUM Thumb
47 Experimental SmallMoleculeDrug DB04614 (R)-tacrine(10)-hupyridone Thumb
48 Approved;
SmallMoleculeDrug DB05510 Huperzine-A Thumb
49 Experimental SmallMoleculeDrug DB04021 MF268 Thumb
50 Investigational SmallMoleculeDrug DB03348 Huperzine B Thumb
51 Approved;
SmallMoleculeDrug DB08996 Dimetacrine Thumb
52 Experimental SmallMoleculeDrug DB02845 Methylphosphinic Acid Thumb
53 Experimental SmallMoleculeDrug DB03740 N-acetyl-alpha-D-glucosamine Thumb
54 Approved;
SmallMoleculeDrug DB00677 Isoflurophate Thumb
55 Approved;
Vet approved
SmallMoleculeDrug DB00733 Pralidoxime Thumb
56 Experimental SmallMoleculeDrug DB03283 beta-L-fucose Thumb
57 Approved SmallMoleculeDrug DB00863 Ranitidine Thumb
58 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
59 Approved;
SmallMoleculeDrug DB01233 Metoclopramide Thumb

20 predicted interactions (drugs) of input target (ACHE): Acetylcholinesterase
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image Confidence score
1 Approved SmallMoleculeDrug DB01226 Mivacurium Thumb 63.2%
2 Experimental SmallMoleculeDrug DB04447 1,4-Dithiothreitol Thumb 48.1%
3 Approved;
Vet approved
SmallMoleculeDrug DB01221 Ketamine Thumb 47.6%
4 Approved SmallMoleculeDrug DB00514 Dextromethorphan Thumb 46.8%
5 Approved;
SmallMoleculeDrug DB09061 Cannabidiol Thumb 44.0%
6 Approved;
Vet approved
SmallMoleculeDrug DB00721 Procaine Thumb 42.9%
7 Experimental SmallMoleculeDrug DB08201 (1S)-menthyl hexyl phosphonate group Thumb 42.5%
8 Approved;
SmallMoleculeDrug DB12010 Fostamatinib Thumb 42.4%
9 Approved SmallMoleculeDrug DB00661 Verapamil Thumb 40.7%
10 Approved;
SmallMoleculeDrug DB00604 Cisapride Thumb 39.7%
11 Experimental SmallMoleculeDrug DB08658 ETHYL HYDROGEN DIETHYLAMIDOPHOSPHATE Thumb 38.3%
12 Experimental SmallMoleculeDrug DB07940 9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE Thumb 37.8%
13 Approved;
SmallMoleculeDrug DB09225 Zotepine Thumb 37.2%
14 Investigational SmallMoleculeDrug DB03106 scyllo-inositol Thumb 37.0%
15 Approved;
SmallMoleculeDrug DB00555 Lamotrigine Thumb 37.0%
16 Approved;
SmallMoleculeDrug DB01238 Aripiprazole Thumb 36.1%
17 Approved;
SmallMoleculeDrug DB06148 Mianserin Thumb 36.0%
18 Approved;
SmallMoleculeDrug DB00772 Malathion Thumb 35.8%
19 Approved SmallMoleculeDrug DB00421 Spironolactone Thumb 35.5%
20 Approved;
SmallMoleculeDrug DB01118 Amiodarone Thumb 35.4%


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.