QuartataWeb 1.0

30 known interactions (drugs) of input target (BCHE): Cholinesterase

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	Approved; Investigational	SmallMoleculeDrug	DB00989	Rivastigmine	CCN(C)C(=O)OC1=CC=CC(=C1)[C@H](C)N(C)C
2	Approved	SmallMoleculeDrug	DB01057	Echothiophate	CCOP(=O)(OCC)SCC[N+](C)(C)C
3	Approved; Vet approved	SmallMoleculeDrug	DB01221	Ketamine	CNC1(CCCCC1=O)C1=CC=CC=C1Cl
4	Experimental	SmallMoleculeDrug	DB03672	9-N-Phenylmethylamino-Tacrine	C(NC1=C2C=CC=CC2=NC2=C1CCCC2)C1=CC=CC=C1
5	Experimental	SmallMoleculeDrug	DB08658	ETHYL HYDROGEN DIETHYLAMIDOPHOSPHATE	CCO[P@](O)(=O)N(CC)CC
6	Experimental	SmallMoleculeDrug	DB08201	(1S)-menthyl hexyl phosphonate group	CCCCCCP(O)(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C
7	Approved; Nutraceutical	SmallMoleculeDrug	DB00122	Choline	C[N+](C)(C)CCO
8	Investigational	SmallMoleculeDrug	DB04892	Phenserine	[H][C@]12N(C)CC[C@@]1(C)C1=C(C=CC(OC(=O)NC3=CC=CC=C3)=C1)N2C
9	Experimental	SmallMoleculeDrug	DB07940	9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE	IC1=CC=CC(CNC2=C3CCCCC3=NC3=C2C=CC=C3)=C1
10	Approved; Investigational	SmallMoleculeDrug	DB00772	Malathion	CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC
11	Approved	SmallMoleculeDrug	DB00944	Demecarium	CN(CCCCCCCCCCN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C
12	Approved; Investigational	SmallMoleculeDrug	DB00545	Pyridostigmine	CN(C)C(=O)OC1=C[N+](C)=CC=C1
13	Investigational; Withdrawn	SmallMoleculeDrug	DB00382	Tacrine	NC1=C2CCCCC2=NC2=CC=CC=C12
14	Experimental	SmallMoleculeDrug	DB03814	2-(N-Morpholino)-Ethanesulfonic Acid	[O-]S(=O)(=O)CC[NH+]1CCOCC1
15	Approved	SmallMoleculeDrug	DB00449	Dipivefrin	CNCC(O)C1=CC(OC(=O)C(C)(C)C)=C(OC(=O)C(C)(C)C)C=C1
16	Experimental	SmallMoleculeDrug	DB08200	(1R)-menthyl hexyl phosphonate group	CCCCCCP(O)(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
17	Approved	SmallMoleculeDrug	DB01010	Edrophonium	CC[N+](C)(C)C1=CC(O)=CC=C1
18	Approved	SmallMoleculeDrug	DB01226	Mivacurium	COC1=CC(C[C@@H]2C3=CC(OC)=C(OC)C=C3CC[N+]2(C)CCCOC(=O)CC\C=C\CCC(=O)OCCC[N+]2(C)CCC3=CC(OC)=C(OC)C=C3[C@H]2CC2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC
19	Approved	SmallMoleculeDrug	DB00674	Galantamine	[H][C@]12C[C@@H](O)C=C[C@]11CCN(C)CC3=C1C(O2)=C(OC)C=C3
20	Experimental	SmallMoleculeDrug	DB04250	Butyrylthiocholine	CCCC(=O)SCC[N+](C)(C)C
21	Experimental	SmallMoleculeDrug	DB07681	DODECANESULFONATE ION	CCCCCCCCCCCCS([O-])(=O)=O
22	Experimental	SmallMoleculeDrug	DB02811	Diethylphosphono Group	CCOP(=O)OCC
23	Approved; Nutraceutical	SmallMoleculeDrug	DB14006	Choline salicylate	C[N+](C)(C)CCO.OC1=CC=CC=C1C([O-])=O
24	Experimental	SmallMoleculeDrug	DB03822	Ethyl Dihydrogen Phosphate	CCOP(O)(O)=O
25	Approved	SmallMoleculeDrug	DB00941	Hexafluronium	C[N+](C)(CCCCCC[N+](C)(C)C1C2=C(C=CC=C2)C2=C1C=CC=C2)C1C2=C(C=CC=C2)C2=C1C=CC=C2
26	Experimental; Investigational	SmallMoleculeDrug	DB03568	Butyric Acid	CCCC(O)=O
27	Experimental	SmallMoleculeDrug	DB02845	Methylphosphinic Acid	CP(O)=O
28	Approved; Investigational; Withdrawn	SmallMoleculeDrug	DB00677	Isoflurophate	CC(C)OP(F)(=O)OC(C)C
29	Approved; Vet approved	SmallMoleculeDrug	DB00733	Pralidoxime	C[N+]1=C(\C=N\O)C=CC=C1
30	Approved	SmallMoleculeDrug	DB00863	Ranitidine	CN\C(NCCSCC1=CC=C(CN(C)C)O1)=C/[N+]([O-])=O

20 predicted interactions (drugs) of input target (BCHE): Cholinesterase

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Approved	SmallMoleculeDrug	DB00805	Minaprine	CC1=CC(=NN=C1NCCN1CCOCC1)C1=CC=CC=C1	50.0%
2	Approved	SmallMoleculeDrug	DB00411	Carbachol	C[N+](C)(C)CCOC(N)=O	46.4%
3	Experimental	SmallMoleculeDrug	DB04114	3-Chloro-9-Ethyl-6,7,8,9,10,11-Hexahydro-7,11-Methanocycloocta[B]Quinolin-12-Amine	[H][C@]12CC3=C(C(N)=C4C=CC(Cl)=CC4=N3)[C@]([H])(CC(CC)=C1)C2	43.2%
4	Approved; Investigational	SmallMoleculeDrug	DB01233	Metoclopramide	CCN(CC)CCNC(=O)C1=CC(Cl)=C(N)C=C1OC	43.0%
5	Approved	SmallMoleculeDrug	DB00843	Donepezil	COC1=C(OC)C=C2C(=O)C(CC3CCN(CC4=CC=CC=C4)CC3)CC2=C1	41.7%
6	Approved	SmallMoleculeDrug	DB03128	Acetylcholine	CC(=O)OCC[N+](C)(C)C	41.3%
7	Approved	SmallMoleculeDrug	DB01199	Tubocurarine	[H][C@@]12CC3=CC=C(OC4=C5C(CC[N+](C)(C)[C@]5([H])CC5=CC(OC6=C(OC)C=C(CCN1C)C2=C6)=C(O)C=C5)=CC(OC)=C4O)C=C3	40.3%
8	Experimental	SmallMoleculeDrug	DB08357	1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE	CCOCCOCCOCC	39.8%
9	Investigational	SmallMoleculeDrug	DB04859	Zanapezil	O=C(CCC1CCN(CC2=CC=CC=C2)CC1)C1=CC2=C(CCCCN2)C=C1	39.7%
10	Experimental	SmallMoleculeDrug	DB04021	MF268	[H][C@]1(C)CN(CCCCCCCCNC=O)C[C@@]([H])(C)O1	38.2%
11	Experimental	SmallMoleculeDrug	DB02343	3,6,9,12,15-Pentaoxaheptadecane	CCOCCOCCOCCOCCOCC	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	CCC1=CC=CC=C1N=C(O)OC1=CC2=C(C=C1)N(C)C1C2(C)CCN1(C)=O	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	CC1=C(CSCC2=CC(=CC=C2)C(O)(O)C(F)(F)F)C(N)=C2C(F)=CC=CC2=N1	37.4%
14	Approved	SmallMoleculeDrug	DB00483	Gallamine Triethiodide	[I-].[I-].[I-].CC[N+](CC)(CC)CCOC1=CC=CC(OCC[N+](CC)(CC)CC)=C1OCC[N+](CC)(CC)CC	37.2%
15	Experimental	SmallMoleculeDrug	DB08615	2-[4-(DIMETHYLAMINO)PHENYL]-6-HYDROXY-3-METHYL-1,3-BENZOTHIAZOL-3-IUM	CN(C)C1=CC=C(C=C1)C1=[N+](C)C2=CC=C(O)C=C2S1	36.5%
16	Approved; Investigational	SmallMoleculeDrug	DB12010	Fostamatinib	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC	36.1%
17	Experimental	SmallMoleculeDrug	DB02825	Methylphosphonic Acid Ester Group	CP([O-])=O	34.6%
18	Approved; Withdrawn	SmallMoleculeDrug	DB08996	Dimetacrine	CN(C)CCCN1C2=CC=CC=C2C(C)(C)C2=CC=CC=C12	34.2%
19	Approved	SmallMoleculeDrug	DB13503	Tyrothricin	NA	33.9%
20	Experimental; Investigational	SmallMoleculeDrug	DB08167	Methylthioninium	CN(C)C1=CC2=[S+]C3=CC(=CC=C3N=C2C=C1)N(C)C	33.7%