QuartataWeb 1.0

Data source: DrugBank-all; Query type: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: P34896

No. Gene UniProt ID Protein Name Pathway PDB

1 SHMT1 P34896 Serine hydroxymethyltransferase, cytosolic hsa00260; hsa00630; hsa00670; hsa01100; hsa01200; hsa01230; hsa01523 1BJ4

7 known interactions (drugs) of input target (SHMT1): Serine hydroxymethyltransferase, cytosolic

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	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
3	Approved	SmallMoleculeDrug	DB01055	Mimosine	N[C@@H](CN1C=CC(=O)C(O)=C1)C(O)=O
4	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00114	Pyridoxal Phosphate	CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O
5	Approved; Nutraceutical; Vet approved	SmallMoleculeDrug	DB00145	Glycine	NCC(O)=O
6	Experimental	SmallMoleculeDrug	DB02824	N-Pyridoxyl-Glycine-5-Monophosphate	CC1=NC=C(COP(O)(O)=O)C(CNCC(O)=O)=C1O
7	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 predicted interactions (drugs) of input target (SHMT1): Serine hydroxymethyltransferase, cytosolic

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Approved; Nutraceutical	SmallMoleculeDrug	DB00160	L-Alanine	C[C@H](N)C(O)=O	35.2%
2	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	27.0%
3	Approved; Nutraceutical	SmallMoleculeDrug	DB00142	Glutamic Acid	N[C@@H](CCC(O)=O)C(O)=O	24.6%
4	Approved	SmallMoleculeDrug	DB01346	Quinidine barbiturate	CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1.COC1=CC2=C(C=CN=C2C=C1)C(O)C1CC2CCN1CC2C=C	23.0%
5	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00143	Glutathione	N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O	21.4%
6	Approved; Nutraceutical	SmallMoleculeDrug	DB00173	Adenine	NC1=C2NC=NC2=NC=N1	20.7%
7	Experimental	SmallMoleculeDrug	DB04652	Corticosterone	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@]([H])(O)C[C@]12C)C(=O)CO	18.9%
8	Approved; Illicit	SmallMoleculeDrug	DB00628	Clorazepate	OC(=O)C1N=C(C2=CC=CC=C2)C2=C(NC1=O)C=CC(Cl)=C2	17.0%
9	Experimental	SmallMoleculeDrug	DB03256	(6R)-Folinic acid	[H][C@@](CCC(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	16.8%
10	Approved; Investigational	SmallMoleculeDrug	DB09481	Magnesium carbonate	[Mg++].[O-]C([O-])=O	16.8%
11	Approved; Investigational	SmallMoleculeDrug	DB00659	Acamprosate	CC(=O)NCCCS(O)(=O)=O	16.7%
12	Experimental	SmallMoleculeDrug	DB03187	6-(Hydroxyethyldithio)-8-(Aminomethylthio)Octanoic Acid	[H][C@](CCCCC(O)=O)(CCSCN)SSCCO	16.6%
13	Approved; Nutraceutical	SmallMoleculeDrug	DB00151	L-Cysteine	N[C@@H](CS)C(O)=O	16.6%
14	Approved; Investigational	SmallMoleculeDrug	DB02325	Isopropyl Alcohol	CC(C)O	16.5%
15	Experimental	SmallMoleculeDrug	DB04048	N-Carbamoyl-Alanine	C[C@@H](NC(N)=O)C(O)=O	16.5%
16	Approved; Investigational; Vet approved	SmallMoleculeDrug	DB00228	Enflurane	FC(F)OC(F)(F)C(F)Cl	16.4%
17	Approved; Vet approved	SmallMoleculeDrug	DB01159	Halothane	FC(F)(F)C(Cl)Br	16.0%
18	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00141	N-Acetylglucosamine	[H]C(=O)[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@H](O)CO	15.9%
19	Experimental	SmallMoleculeDrug	DB06943	(3S)-1-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}pyrrolidine-3-thiol	[H][C@]1(S)CCN(C1)S(=O)(=O)C1=CC=C(OCC#CC)C=C1	15.8%
20	Approved; Investigational	BiotechDrug	DB00030	Insulin Human	NA	15.7%