QuartataWeb 1.0

Data source: DrugBank-all; Query type: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: P34897

No. Gene UniProt ID Protein Name Pathway PDB

1 SHMT2 P34897 Serine hydroxymethyltransferase, mitochondrial hsa00260; hsa00630; hsa00670; hsa01100; hsa01200; hsa01230; hsa01523 3OU5; 4PVF

4 known interactions (drugs) of input target (SHMT2): Serine hydroxymethyltransferase, mitochondrial

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	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
2	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00114	Pyridoxal Phosphate	CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O
3	Approved; Nutraceutical; Vet approved	SmallMoleculeDrug	DB00145	Glycine	NCC(O)=O
4	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

20 predicted interactions (drugs) of input target (SHMT2): Serine hydroxymethyltransferase, mitochondrial

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Approved; Nutraceutical	SmallMoleculeDrug	DB00157	NADH	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O	46.8%
2	Approved; Investigational	SmallMoleculeDrug	DB09130	Copper	[Cu]	45.6%
3	Approved; Nutraceutical	SmallMoleculeDrug	DB00142	Glutamic Acid	N[C@@H](CCC(O)=O)C(O)=O	33.4%
4	Approved; Investigational	SmallMoleculeDrug	DB01593	Zinc	[Zn]	28.1%
5	Approved; Nutraceutical	SmallMoleculeDrug	DB00151	L-Cysteine	N[C@@H](CS)C(O)=O	25.3%
6	Investigational	SmallMoleculeDrug	DB12695	Phenethyl Isothiocyanate	S=C=NCCC1=CC=CC=C1	24.7%
7	Approved; Nutraceutical	SmallMoleculeDrug	DB00160	L-Alanine	C[C@H](N)C(O)=O	24.7%
8	Experimental	SmallMoleculeDrug	DB02067	Triglu-5-Formyl-Tetrahydrofolate	[H][C@@](CCC(O)=N[C@@]([H])(CCC(O)=N[C@@]([H])(CCC(O)=O)C(O)=O)C(O)=O)(NC(=O)C1=CC=C(NC[C@@]2([H])CNC3=C(N2C=O)C(O)=NC(=N)N3)C=C1)C(O)=O	20.7%
9	Experimental	SmallMoleculeDrug	DB02824	N-Pyridoxyl-Glycine-5-Monophosphate	CC1=NC=C(COP(O)(O)=O)C(CNCC(O)=O)=C1O	19.9%
10	Approved; Nutraceutical	SmallMoleculeDrug	DB00133	Serine	N[C@@H](CO)C(O)=O	19.2%
11	Investigational; Nutraceutical	SmallMoleculeDrug	DB04789	5-methyltetrahydrofolic acid	CN1C(CNC2=CC=C(C=C2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNC2=C1C(=O)N=C(N)N2	19.0%
12	Approved; Nutraceutical	SmallMoleculeDrug	DB06757	Manganese	[Mn++]	18.3%
13	Approved; Withdrawn	SmallMoleculeDrug	DB09092	Xanthinol	CN(CCO)CC(O)CN1C=NC2=C1C(=O)N(C)C(=O)N2C	18.1%
14	Experimental	SmallMoleculeDrug	DB02800	5-Hydroxymethylene-6-Hydrofolic Acid	[H][C@@](CCC(O)=O)(NC(=O)C1=CC=C(NC[C@@]2([H])C=NC3=C(N2CO)C(O)=NC(=N)N3)C=C1)C(O)=O	17.5%
15	Investigational	SmallMoleculeDrug	DB05147	CYT997	NA	17.3%
16	Experimental	SmallMoleculeDrug	DB04083	N'-Pyridoxyl-Lysine-5'-Monophosphate	[H]\C(=N/CCCC[C@]([H])(N)C(O)=O)C1=C(COP(O)(O)=O)C=NC(C)=C1O	16.2%
17	Experimental	SmallMoleculeDrug	DB03345	Beta-Mercaptoethanol	OCCS	15.8%
18	Experimental	SmallMoleculeDrug	DB03408	gamma-Glutamylcysteine	N[C@@H](CCC(=O)N[C@@H](CS)C(O)=O)C(O)=O	15.7%
19	Approved; Withdrawn	SmallMoleculeDrug	DB00761	Potassium Chloride	[Cl-].[K+]	15.2%
20	Approved; Nutraceutical	SmallMoleculeDrug	DB01373	Calcium	[Ca]	14.5%