QuartataWeb 1.0

Data source: DrugBank-all; Query type: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: Q9BYV1

No. Gene UniProt ID Protein Name Pathway PDB

1 AGXT2 Q9BYV1 Alanine--glyoxylate aminotransferase 2, mitochondrial hsa00250; hsa00260; hsa00270; hsa00280; hsa01100 NA

4 known interactions (drugs) of input target (AGXT2): Alanine--glyoxylate aminotransferase 2, mitochondrial

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	Approved; Nutraceutical	SmallMoleculeDrug	DB00160	L-Alanine	C[C@H](N)C(O)=O
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; Nutraceutical	SmallMoleculeDrug	DB00119	Pyruvic acid	CC(=O)C(O)=O

20 predicted interactions (drugs) of input target (AGXT2): Alanine--glyoxylate aminotransferase 2, mitochondrial

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
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	26.6%
2	Approved	SmallMoleculeDrug	DB00780	Phenelzine	NNCCC1=CC=CC=C1	26.3%
3	Approved; Nutraceutical	SmallMoleculeDrug	DB00142	Glutamic Acid	N[C@@H](CCC(O)=O)C(O)=O	25.3%
4	Approved; Nutraceutical	SmallMoleculeDrug	DB00133	Serine	N[C@@H](CO)C(O)=O	23.5%
5	Approved; Investigational	SmallMoleculeDrug	DB09130	Copper	[Cu]	21.1%
6	Approved; Nutraceutical	SmallMoleculeDrug	DB00151	L-Cysteine	N[C@@H](CS)C(O)=O	21.0%
7	Approved	SmallMoleculeDrug	DB01080	Vigabatrin	NC(CCC(O)=O)C=C	20.1%
8	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	19.9%
9	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	19.8%
10	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	19.5%
11	Approved; Investigational	SmallMoleculeDrug	DB01593	Zinc	[Zn]	18.3%
12	Experimental	SmallMoleculeDrug	DB04551	beta-D-fructofuranose 1,6-bisphosphate	O[C@H]1[C@H](O)[C@@](O)(COP(O)(O)=O)O[C@@H]1COP(O)(O)=O	18.0%
13	Experimental; Investigational	BiotechDrug	DB14009	Medical Cannabis	NA	17.9%
14	Approved; Investigational	SmallMoleculeDrug	DB14011	Nabiximols	[H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C	17.8%
15	Approved; Investigational	SmallMoleculeDrug	DB09061	Cannabidiol	CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1	17.7%
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	17.4%
17	Experimental	SmallMoleculeDrug	DB04235	4-Amino Hexanoic Acid	[H][C@@](N)(CC)CCC(O)=O	17.3%
18	Experimental	SmallMoleculeDrug	DB02079	Aminooxyacetic acid	NOCC(O)=O	17.3%
19	Experimental	SmallMoleculeDrug	DB07069	3-Hydroxyhippuric acid	OC(=O)CNC(=O)C1=CC(O)=CC=C1	17.3%
20	Investigational	SmallMoleculeDrug	DB12695	Phenethyl Isothiocyanate	S=C=NCCC1=CC=CC=C1	16.7%