SCHEMBL622266

O=c1ccn([C@@H]2O[C@H](C(O)OP(=O)(OC(O)[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)OP(=O)(OC(O)[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)OC(O)[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	P2RY2	P41231	15/20	0.54

▸	P2RY6	Q15077	8/20	0.54

▸	P2RY4	P51582	5/20	0.53

▸	SLC28A1	O00337	1/20	0.52

▸	SLC28A2	O43868	1/20	0.52

▸	SLC29A1	Q99808	1/20	0.52

▸	SLC28A3	Q9HAS3	1/20	0.52

▸	P2RY14	Q15391	3/20	0.51

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
SCHEMBL622267	0.88	P2RY2 (0.62)	P2RY2P2RY6P2RY4P2RY14
SCHEMBL622268	0.88	P2RY2 (0.62)	P2RY2P2RY6P2RY4P2RY14
SCHEMBL5068300	0.86	P2RY2 (0.63)	P2RY2P2RY6P2RY4P2RY14
SCHEMBL22750861	0.83	SLC28A1 (0.56)	P2RY2P2RY6P2RY4SLC28A1SLC28A2
SCHEMBL2552451	0.83	SLC28A1 (0.56)	P2RY2P2RY6P2RY4SLC28A1SLC28A2
SCHEMBL933498	0.83	SLC28A1 (0.53)	P2RY2P2RY6P2RY4SLC28A1SLC28A2
SCHEMBL5846581	0.81	SLC28A1 (0.63)	P2RY2P2RY6P2RY4SLC28A1SLC28A2
SCHEMBL933497	0.81	SLC28A1 (0.54)	P2RY2P2RY6P2RY4SLC28A1SLC28A2
SCHEMBL2447501	0.81	SLC28A1 (0.54)	P2RY2P2RY6P2RY4SLC28A1SLC28A2
SCHEMBL23534567	0.81	P2RY2 (0.62)	P2RY2P2RY6P2RY4SLC28A1SLC28A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2012019437-A1	BLADDER CANCER TUMOR MARKER, ANTIBIOTIC AND APPLICATION THEREOF	中国科学院生物物理研究所 (CN)	2012-02-16	—	—	WO	claimed
WO-2012019437-A1	BLADDER CANCER TUMOR MARKER, ANTIBIOTIC AND APPLICATION THEREOF	中国科学院生物物理研究所 (CN)	2012-02-16	—	—	WO	disclosed