Adenosine Triphosphate

SCHEMBL28223308

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)O

nearest known ligand 0.89

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA1A ADRA1B ADRA1D ADRB1 ADRB2 ADRB3 CYP11B1 DPP4 FGFR1 FGFR2 FGFR3 FGFR4 HRH1 JAK1 JAK2 JAK3 KCNA1 KCNA10 KCNA2 KCNA3 KCNA4 KCNA5 KCNA6 KCNA7 KCNB1 KCNB2 KCNC1 KCNC2 KCNC3 KCNC4 KCND1 KCND2 KCND3 KCNF1 KCNG1 KCNG2 KCNG3 KCNG4 KCNH1 KCNH2 KCNH3 KCNH4 KCNH5 KCNH6 KCNH7 KCNH8 KCNQ1 KCNQ2 KCNQ3 KCNQ4 KCNQ5 KCNS1 KCNS2 KCNS3 KCNV1 KCNV2 KDR KIT NA OPRD1 OPRK1 OPRM1 P PDGFRB PIK3CD SCN10A SCN11A SCN1A SCN2A SCN3A SCN4A SCN5A SCN7A SCN8A SCN9A SMO TYK2 pol rplA rplB rplC rplD rplE rplF rplJ rplK rplL rplM rplN rplO rplP rplQ rplR rplS rplT rplU rplV rplW rplX rplY rpmA rpmB rpmC rpmD rpmE rpmF rpmG rpmH rpmI rpmJ rpsA rpsB rpsC rpsD rpsE rpsF rpsG rpsH rpsI rpsJ rpsK rpsL rpsM rpsN rpsO rpsP rpsQ rpsR rpsS rpsT rpsU ykgM ykgO

The experimentally established mechanism targets of Adenosine Triphosphate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	ADRB2 known ✓	P07550	1/20	0.85

▸	KCNH2 known ✓	Q12809	1/20	0.85

▸	P2RY1	P47900	7/20	0.89

▸	P2RX1	P51575	4/20	0.89

▸	P2RX3	P56373	4/20	0.89

▸	P2RY2	P41231	3/20	0.89

▸	SRC	P12931	2/20	0.89

▸	SMN1; SMN2	Q16637	2/20	0.89

▸	P2RX2	Q9UBL9	2/20	0.89

▸	ALDH1A1	P00352	2/20	0.89

▸	P2RX4	Q99571	1/20	0.89

▸	TRPM2	O94759	2/20	0.85

▸	DNPH1	O43598	1/20	0.85

▸	PRKAB2	O43741	1/20	0.85

▸	LDHA	P00338	1/20	0.85

▸	FBP1	P09467	1/20	0.85

▸	ADORA1	P30542	1/20	0.85

▸	PRKAG1	P54619	1/20	0.85

▸	PRKAA2	P54646	1/20	0.85

▸	PDE4D	Q08499	1/20	0.85

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compound	similarity	top predicted	shared targets
Adenosine Triphosphate SCHEMBL27817941	0.99	P2RY1 (0.91)	P2RY1P2RX1P2RX3P2RY2SRC
Adenosine Diphosphate SCHEMBL8359195	0.98	P2RY1 (0.89)	P2RY1P2RX1P2RX3P2RY2SRC
Adenosine Triphosphate SCHEMBL7200593	0.98	P2RY1 (0.93)	P2RY1P2RX1P2RX3P2RY2SRC
Adenosine Triphosphate SCHEMBL29375927	0.98	P2RY1 (0.93)	P2RY1P2RX1P2RX3P2RY2SRC
Adenosine Triphosphate SCHEMBL28184374	0.97	P2RY1 (0.88)	P2RY1P2RX1P2RX3P2RY2SRC
SCHEMBL4366441	0.97	P2RY1 (0.94)	P2RY1P2RX1P2RX3P2RY2SRC
SCHEMBL4997435	0.97	P2RY1 (0.94)	P2RY1P2RX1P2RX3P2RY2SRC
Adenosine Triphosphate SCHEMBL13722152	0.97	P2RY1 (0.94)	P2RY1P2RX1P2RX3P2RY2SRC
Adenosine Triphosphate SCHEMBL18089781	0.97	P2RY1 (0.94)	P2RY1P2RX1P2RX3P2RY2SRC
Adenosine Triphosphate SCHEMBL20550531	0.97	P2RY1 (0.94)	P2RY1P2RX1P2RX3P2RY2SRC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-105130900-B	Antifungal pyrazoles	纳幕尔杜邦公司	2018-05-22	—	—	CN	disclosed