QuartataWeb 1.0

10 known interactions (drugs) of input target (GPI): Glucose-6-phosphate isomerase

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	Experimental	SmallMoleculeDrug	DB02007	alpha-D-glucose 6-phosphate	O[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O
2	Experimental	SmallMoleculeDrug	DB03581	Glucose-6-Phosphate	O[C@H](COP(O)(O)=O)[C@H](O)[C@H](O)[C@@H](O)C=O
3	Experimental	SmallMoleculeDrug	DB03937	Erythose-4-Phosphate	O[C@H](COP(O)(O)=O)[C@@H](O)C=O
4	Approved; Investigational	SmallMoleculeDrug	DB09130	Copper	[Cu]
5	Experimental	SmallMoleculeDrug	DB03042	5-Phosphoarabinonic Acid	[H][C@@](O)(COP(O)(O)=O)[C@@]([H])(O)[C@]([H])(O)C(O)=O
6	Experimental	SmallMoleculeDrug	DB04493	Fructose-6-Phosphate	OCC(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O
7	Approved; Investigational	SmallMoleculeDrug	DB11638	Artenimol	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)C([H])(O)O[C@]3([H])O[C@@]4(C)CC[C@]1([H])[C@@]23OO4
8	Experimental	SmallMoleculeDrug	DB02076	6-phospho-D-gluconic acid	O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O
9	Experimental	SmallMoleculeDrug	DB02093	5-Phospho-D-Arabinohydroxamic Acid	[H][C@@](O)(COP(O)(O)=O)[C@@]([H])(O)[C@]([H])(O)C(O)=NO
10	Experimental	SmallMoleculeDrug	DB02548	D-glucitol 6-phosphate	OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O

20 predicted interactions (drugs) of input target (GPI): Glucose-6-phosphate isomerase

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Approved; Investigational	SmallMoleculeDrug	DB01593	Zinc	[Zn]	45.8%
2	Experimental	SmallMoleculeDrug	DB03814	2-(N-Morpholino)-Ethanesulfonic Acid	[O-]S(=O)(=O)CC[NH+]1CCOCC1	30.8%
3	Experimental	SmallMoleculeDrug	DB04395	Phosphoaminophosphonic Acid-Adenylate Ester	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O	27.8%
4	Experimental	SmallMoleculeDrug	DB04315	Guanosine-5'-Diphosphate	NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1	27.5%
5	Experimental	SmallMoleculeDrug	DB02483	Etheno-Nad	[H][C@]1(COP([O-])(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])([N+]3=CC=CC(=C3)C(O)=N)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C2N=CN2C=CN=C32)[C@]([H])(O)[C@]1([H])O	26.1%
6	Experimental	SmallMoleculeDrug	DB07374	Anisomycin	[H][C@]1(O)CN[C@]([H])(CC2=CC=C(OC)C=C2)[C@]1([H])OC(C)=O	25.7%
7	Approved	BiotechDrug	DB00031	Tenecteplase	NA	25.0%
8	Experimental	SmallMoleculeDrug	DB08437	Puromycin	[H][C@](N)(CC1=CC=C(OC)C=C1)C(=O)N[C@]1([H])[C@@]([H])(CO)O[C@@]([H])(N2C=NC3=C(N=CN=C23)N(C)C)[C@]1([H])O	23.5%
9	Investigational	BiotechDrug	DB06245	Lanoteplase	NA	23.3%
10	Approved	SmallMoleculeDrug	DB09118	Stiripentol	CC(C)(C)C(O)\C=C\C1=CC2=C(OCO2)C=C1	23.1%
11	Experimental	SmallMoleculeDrug	DB03461	2'-Monophosphoadenosine 5'-Diphosphoribose	[H][C@]1(COP([O-])(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])([N+]3=CC=CC(=C3)C(O)=N)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(OP(O)(O)=O)[C@]1([H])O	22.8%
12	Approved	SmallMoleculeDrug	DB11157	Anthralin	OC1=CC=CC2=C1C(=O)C1=C(O)C=CC=C1C2	22.6%
13	Approved; Nutraceutical; Vet approved	SmallMoleculeDrug	DB04272	Citric Acid	OC(=O)CC(O)(CC(O)=O)C(O)=O	22.4%
14	Experimental	SmallMoleculeDrug	DB02494	Alpha-Hydroxy-Beta-Phenyl-Propionic Acid	[H][C@](O)(CC1=CC=CC=C1)C(O)=O	22.0%
15	Experimental	SmallMoleculeDrug	DB03501	Galactose-uridine-5'-diphosphate	OC[C@H]1O[C@H](O[P@@](O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@H](O)[C@@H](O)[C@H]1O	21.3%
16	Approved; Nutraceutical	SmallMoleculeDrug	DB00142	Glutamic Acid	N[C@@H](CCC(O)=O)C(O)=O	20.4%
17	Experimental	SmallMoleculeDrug	DB04805	Virginiamycin S1	[H][C@@]12CCCN1C(=O)[C@@H](CC)NC(=O)[C@@H](NC(=O)C1=NC=CC=C1O)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@]1([H])CC(=O)CCN1C(=O)[C@]([H])(CC1=CC=CC=C1)N(C)C2=O)C1=CC=CC=C1	20.2%
18	Nutraceutical	SmallMoleculeDrug	DB00116	Tetrahydrofolic acid	NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2)N1	19.1%
19	Approved; Investigational	SmallMoleculeDrug	DB00908	Quinidine	[H][C@@]12CCN(C[C@@H]1C=C)[C@]([H])(C2)[C@@H](O)C1=C2C=C(OC)C=CC2=NC=C1	19.0%
20	Approved	SmallMoleculeDrug	DB00515	Cisplatin	N[Pt](N)(Cl)Cl	19.0%