QuartataWeb 1.0

Data source: DrugBank-all; Query type: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: P29317

No. Gene UniProt ID Protein Name Pathway PDB

1 EPHA2 P29317 Ephrin type-A receptor 2 hsa04010; hsa04014; hsa04015; hsa04151; hsa04360 1MQB; 2E8N; 2K9Y; 2KSO; 2X10; 2X11; 3C8X; 3CZU; 3FL7; 3HEI; 3HPN; 3KKA; 3MBW; 3MX0; 3SKJ; 4P2K; 4PDO; 4TRL

4 known interactions (drugs) of input target (EPHA2): Ephrin type-A receptor 2

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	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
2	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
3	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
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

20 predicted interactions (drugs) of input target (EPHA2): Ephrin type-A receptor 2

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	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	42.9%
2	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	34.6%
3	Approved; Investigational	SmallMoleculeDrug	DB00398	Sorafenib	CNC(=O)C1=NC=CC(OC2=CC=C(NC(=O)NC3=CC(=C(Cl)C=C3)C(F)(F)F)C=C2)=C1	34.6%
4	Investigational	SmallMoleculeDrug	DB12742	Amuvatinib	S=C(NCC1=CC=C2OCOC2=C1)N1CCN(CC1)C1=NC=NC2=C1OC1=C2C=CC=C1	32.9%
5	Approved	SmallMoleculeDrug	DB09079	Nintedanib	COC(=O)C1=CC2=C(C=C1)\C(=C(\NC1=CC=C(C=C1)N(C)C(=O)CN1CCN(C)CC1)C1=CC=CC=C1)C(O)=N2	32.4%
6	Investigational	SmallMoleculeDrug	DB05146	XL820	NA	27.6%
7	Approved; Vet approved	SmallMoleculeDrug	DB00945	Acetylsalicylic acid	CC(=O)OC1=CC=CC=C1C(O)=O	27.3%
8	Approved; Investigational	SmallMoleculeDrug	DB06595	Midostaurin	CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)N1C3=C(C=CC=C3)C3=C1C1=C(C4=C(C=CC=C4)N21)C1=C3CNC1=O)N(C)C(=O)C1=CC=CC=C1	26.9%
9	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	25.6%
10	Approved; Investigational	SmallMoleculeDrug	DB01268	Sunitinib	CCN(CC)CCNC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=C2C=C(F)C=C3)=C1C	25.1%
11	Approved	SmallMoleculeDrug	DB05294	Vandetanib	COC1=C(OCC2CCN(C)CC2)C=C2N=CN=C(NC3=C(F)C=C(Br)C=C3)C2=C1	23.9%
12	Approved; Investigational	SmallMoleculeDrug	DB09078	Lenvatinib	COC1=C(C=C2C(OC3=CC(Cl)=C(NC(O)=NC4CC4)C=C3)=CC=NC2=C1)C(O)=N	23.6%
13	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	22.5%
14	Approved	SmallMoleculeDrug	DB06589	Pazopanib	CN(C1=CC2=NN(C)C(C)=C2C=C1)C1=CC=NC(NC2=CC=C(C)C(=C2)S(N)(=O)=O)=N1	22.5%
15	Experimental	SmallMoleculeDrug	DB01962	Phosphonotyrosine	N[C@@H](CC1=CC=C(OP(O)(O)=O)C=C1)C(O)=O	22.1%
16	Investigational	SmallMoleculeDrug	DB05184	XL228	NA	21.9%
17	Investigational	SmallMoleculeDrug	DB05913	OSI-930	FC(F)(F)OC1=CC=C(NC(=O)C2=C(NCC3=CC=NC4=CC=CC=C34)C=CS2)C=C1	21.8%
18	Investigational	SmallMoleculeDrug	DB05157	KC706	NA	21.0%
19	Approved; Investigational	SmallMoleculeDrug	DB08875	Cabozantinib	COC1=CC2=C(C=C1OC)C(OC1=CC=C(NC(=O)C3(CC3)C(=O)NC3=CC=C(F)C=C3)C=C1)=CC=N2	20.7%
20	Approved; Investigational	SmallMoleculeDrug	DB04868	Nilotinib	CC1=CN(C=N1)C1=CC(=CC(NC(=O)C2=CC(NC3=NC=CC(=N3)C3=CN=CC=C3)=C(C)C=C2)=C1)C(F)(F)F	20.0%