QuartataWeb 1.0

5 known interactions (drugs) of input target (PFKFB1): 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	Experimental	SmallMoleculeDrug	DB02393	D-Gluco-2,5-Anhydro-1-Deoxy-1-Phosphonohexitol-6-Phosphate	[H][C@]1(O)[C@]([H])(O)[C@]([H])(CP(O)(O)=O)O[C@]1([H])COP(O)(O)=O
2	Experimental	SmallMoleculeDrug	DB04493	Fructose-6-Phosphate	OCC(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O
3	Experimental	SmallMoleculeDrug	DB02515	3-Phosphoglycerol	OC[C@@H](O)COP(O)(O)=O
4	Experimental	SmallMoleculeDrug	DB02930	Adenosine 5'-[Î³-thio]triphosphate	[H][C@]1(COP(O)(=O)OP(O)(=O)OP(O)(O)=S)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O
5	Experimental	SmallMoleculeDrug	DB04137	Guanosine-5'-Triphosphate	NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1

20 predicted interactions (drugs) of input target (PFKFB1): 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Approved; Nutraceutical	SmallMoleculeDrug	DB00139	Succinic acid	OC(=O)CCC(O)=O	22.4%
2	Approved; Investigational	SmallMoleculeDrug	DB01593	Zinc	[Zn]	21.9%
3	Investigational	SmallMoleculeDrug	DB05518	Managlinat dialanetil	[H][C@@](C)(NP(=O)(N[C@@]([H])(C)C(=O)OCC)C1=CC=C(O1)C1=C(CC(C)C)SC(=N)N1)C(=O)OCC	21.8%
4	Approved; Nutraceutical	SmallMoleculeDrug	DB00142	Glutamic Acid	N[C@@H](CCC(O)=O)C(O)=O	20.1%
5	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	19.3%
6	Investigational	BiotechDrug	DB05202	Egaptivon pegol	NA	18.5%
7	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	18.5%
8	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	18.1%
9	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	17.8%
10	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	17.6%
11	Experimental	SmallMoleculeDrug	DB01972	Guanosine-5'-Monophosphate	NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1	17.3%
12	Approved; Investigational	SmallMoleculeDrug	DB00786	Marimastat	CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C	17.2%
13	Approved; Investigational	SmallMoleculeDrug	DB03088	Pidolic Acid	OC(=O)[C@@H]1CCC(=O)N1	17.2%
14	Approved	SmallMoleculeDrug	DB00201	Caffeine	CN1C=NC2=C1C(=O)N(C)C(=O)N2C	16.5%
15	Approved	SmallMoleculeDrug	DB11348	Calcium Phosphate	[Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O	16.3%
16	Experimental	SmallMoleculeDrug	DB02848	{4-[3-(6,7-Diethoxy-Quinazolin-4-Ylamino)-Phenyl]-Thiazol-2-Yl}-Methanol	CCOC1=C(OCC)C=C2C(NC3=CC=CC(=C3)C3=CSC(CO)=N3)=NC=NC2=C1	16.2%
17	Approved	SmallMoleculeDrug	DB00619	Imatinib	CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC(NC3=NC=CC(=N3)C3=CN=CC=C3)=C(C)C=C2)CC1	15.6%
18	Experimental	SmallMoleculeDrug	DB02153	3-Sulfinoalanine	N[C@@H](C[S@@](O)=O)C(O)=O	15.0%
19	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	14.8%
20	Experimental	SmallMoleculeDrug	DB02547	Guanosine-5'-Diphosphate-Rhamnose	C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2NC(N)=NC3=O)[C@@H](O)[C@@H](O)[C@@H]1O	14.7%