QuartataWeb 1.0

Data source: DrugBank-all; Query type: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: P21549

No. Gene UniProt ID Protein Name Pathway PDB

1 AGXT P21549 Serine--pyruvate aminotransferase hsa00250; hsa00260; hsa00630; hsa01100; hsa01200; hsa04146 1H0C; 1J04; 2YOB; 3R9A; 4CBR; 4CBS; 4I8A; 4KXK; 4KYO

7 known interactions (drugs) of input target (AGXT): Serine--pyruvate aminotransferase

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	Experimental	SmallMoleculeDrug	DB02079	Aminooxyacetic acid	NOCC(O)=O
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
3	Approved; Nutraceutical	SmallMoleculeDrug	DB00160	L-Alanine	C[C@H](N)C(O)=O
4	Approved; Nutraceutical	SmallMoleculeDrug	DB00133	Serine	N[C@@H](CO)C(O)=O
5	Experimental	SmallMoleculeDrug	DB08060	4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID	NC1=CC=CC=C1C(=O)CCC(O)=O
6	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00114	Pyridoxal Phosphate	CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O
7	Approved; Nutraceutical; Vet approved	SmallMoleculeDrug	DB00145	Glycine	NCC(O)=O

20 predicted interactions (drugs) of input target (AGXT): Serine--pyruvate aminotransferase

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00118	Ademetionine	[H][C@](N)(CC[S+](C)C[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O)C([O-])=O	24.6%
2	Experimental	SmallMoleculeDrug	DB02556	D-Phenylalanine	N[C@H](CC1=CC=CC=C1)C(O)=O	22.3%
3	Approved; Nutraceutical	SmallMoleculeDrug	DB00151	L-Cysteine	N[C@@H](CS)C(O)=O	19.4%
4	Experimental	SmallMoleculeDrug	DB02142	Pyridoxamine-5'-Phosphate	CC1=NC=C(COP(O)(O)=O)C(CN)=C1O	19.3%
5	Approved	SmallMoleculeDrug	DB00780	Phenelzine	NNCCC1=CC=CC=C1	18.9%
6	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	18.2%
7	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00155	L-Citrulline	N[C@@H](CCCNC(N)=O)C(O)=O	18.1%
8	Approved; Nutraceutical	SmallMoleculeDrug	DB00125	L-Arginine	N[C@@H](CCCNC(N)=N)C(O)=O	18.0%
9	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	17.5%
10	Approved; Investigational	SmallMoleculeDrug	DB00909	Zonisamide	NS(=O)(=O)CC1=NOC2=CC=CC=C12	17.1%
11	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00167	L-Isoleucine	CC[C@H](C)[C@H](N)C(O)=O	16.9%
12	Approved; Investigational; Withdrawn	BiotechDrug	DB00013	Urokinase	NA	16.4%
13	Approved	BiotechDrug	DB11311	Prothrombin	NA	16.4%
14	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	16.0%
15	Approved; Nutraceutical	SmallMoleculeDrug	DB00117	Histidine	N[C@@H](CC1=CN=CN1)C(O)=O	15.6%
16	Approved; Investigational; Vet approved	SmallMoleculeDrug	DB00091	Cyclosporine	CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C	15.4%
17	Experimental	SmallMoleculeDrug	DB03951	N-acetyl-D-glucosamine-6-phosphate	CC(=O)N[C@H]1C(O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O	15.3%
18	Approved; Investigational	BiotechDrug	DB11300	Thrombin	NA	15.3%
19	Experimental	SmallMoleculeDrug	DB02320	1-N-Acetyl-Beta-D-Glucosamine	[H][C@]1(CO)O[C@@]([H])(N=C(C)O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O	14.9%
20	Investigational	SmallMoleculeDrug	DB06266	Lonidamine	OC(=O)C1=NN(CC2=C(Cl)C=C(Cl)C=C2)C2=C1C=CC=C2	14.8%