QuartataWeb 1.0

Data source: DrugBank-all; Query type: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: P29597

No. Gene UniProt ID Protein Name Pathway PDB

1 TYK2 P29597 Non-receptor tyrosine-protein kinase TYK2 hsa04217; hsa04380; hsa04621; hsa04630; hsa04658; hsa04659; hsa05145; hsa05160; hsa05162; hsa05164; hsa05165; hsa05167; hsa05168; hsa05169 3LXN; 3LXP; 3NYX; 3NZ0; 3ZON; 4GFO; 4GIH; 4GII; 4GJ2; 4GJ3; 4GVJ; 4OLI; 4PO6; 4PY1; 4WOV; 5C01; 5C03

3 known interactions (drugs) of input target (TYK2): Non-receptor tyrosine-protein kinase TYK2

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	Experimental	SmallMoleculeDrug	DB04716	2-(1,1-DIMETHYLETHYL)9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLIN-7-ONE	CC(C)(C)C1=NC2=C3C=CC(F)=CC3=C3C(=O)NC=CC3=C2N1
2	Approved; Investigational	SmallMoleculeDrug	DB12010	Fostamatinib	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC
3	Approved; Investigational	SmallMoleculeDrug	DB08895	Tofacitinib	[H][C@@]1(C)CCN(C[C@]1([H])N(C)C1=NC=NC2=C1C=CN2)C(=O)CC#N

20 predicted interactions (drugs) of input target (TYK2): Non-receptor tyrosine-protein kinase TYK2

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Approved; Investigational	SmallMoleculeDrug	DB11817	Baricitinib	CCS(=O)(=O)N1CC(CC#N)(C1)N1C=C(C=N1)C1=C2C=CNC2=NC=N1	43.1%
2	Approved	SmallMoleculeDrug	DB08877	Ruxolitinib	N#CC[C@H](C1CCCC1)N1C=C(C=N1)C1=C2C=CNC2=NC=N1	32.2%
3	Experimental	SmallMoleculeDrug	DB02375	Myricetin	OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C(O)=C2)=C1	25.6%
4	Approved; Investigational	SmallMoleculeDrug	DB01254	Dasatinib	CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1	24.5%
5	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	23.2%
6	Approved	SmallMoleculeDrug	DB08896	Regorafenib	CNC(=O)C1=CC(OC2=CC(F)=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=CC=N1	22.4%
7	Approved	SmallMoleculeDrug	DB00233	Aminosalicylic Acid	NC1=CC(O)=C(C=C1)C(O)=O	21.9%
8	Approved; Investigational	SmallMoleculeDrug	DB12267	Brigatinib	COC1=CC(=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1)N1CCC(CC1)N1CCN(C)CC1	20.6%
9	Experimental	SmallMoleculeDrug	DB07162	4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide	CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)C1=CC2=C(NN=C2N)C=C1	20.5%
10	Experimental	SmallMoleculeDrug	DB02010	Staurosporine	[H][C@]1(C[C@@]2([H])O[C@](C)(N3C4=CC=CC=C4C4=C5CNC(=O)C5=C5C6=CC=CC=C6N2C5=C34)[C@]1([H])OC)NC	19.2%
11	Experimental	SmallMoleculeDrug	DB07242	(4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile	[H][C@@]1(C#N)C2=C(N(C)C3=C(Cl)C(Cl)=CC=C23)C(=O)NC11CCN(C)CC1	18.5%
12	Experimental	SmallMoleculeDrug	DB07161	5-phenyl-1H-indazol-3-amine	NC1=NNC2=CC=C(C=C12)C1=CC=CC=C1	17.9%
13	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00131	Adenosine monophosphate	NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1	17.8%
14	Investigational	SmallMoleculeDrug	DB05243	XL019	NA	17.7%
15	Experimental	SmallMoleculeDrug	DB02482	Phosphonothreonine	C[C@H](OP(O)(O)=O)[C@@H](N)C(O)=O	16.8%
16	Experimental; Investigational	SmallMoleculeDrug	DB04216	Quercetin	OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1	16.6%
17	Experimental	SmallMoleculeDrug	DB07125	4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzoic acid	[H][C@@](CC)(CO)NC1=NN2C(C=C1)=NC=C2C1=CC=C(C=C1)C(O)=O	15.8%
18	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	15.8%
19	Approved; Investigational	SmallMoleculeDrug	DB08901	Ponatinib	CN1CCN(CC2=CC=C(NC(=O)C3=CC(C#CC4=CN=C5C=CC=NN45)=C(C)C=C3)C=C2C(F)(F)F)CC1	15.7%
20	Experimental	SmallMoleculeDrug	DB03777	Rbt205 Inhibitor	CN(C)CCCN1C=C(C2=C1C=CC=C2)C1=C(C(=O)NC1=O)C1=CNC2=C1C=CC=C2	15.5%