SCHEMBL6660416 — predicted protein targets

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	PTGS2	P35354	14/20	0.46

▸	PTGS1	P23219	2/20	0.46

▸	ADORA3	P0DMS8	1/20	0.45

▸	ADORA2A	P29274	1/20	0.45

▸	ADORA1	P30542	1/20	0.45

▸	PIK3CD	O00329	1/20	0.44

▸	FAAH	O00519	1/20	0.40

▸	KCNH2	Q12809	1/20	0.40

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
SCHEMBL6667230	0.89	ADORA3 (0.48)	PTGS2PTGS1ADORA3ADORA2AADORA1
SCHEMBL6661208	0.85	MAPK13 (0.50)	ADORA3ADORA2AADORA1
SCHEMBL6660434	0.84	ADORA3 (0.55)	ADORA3ADORA2AADORA1
SCHEMBL6665550	0.83	ADORA3 (0.45)	ADORA3ADORA2AADORA1KCNH2
SCHEMBL6666123	0.76	PIK3CD (0.51)	PTGS2PTGS1ADORA3ADORA2AADORA1
SCHEMBL6660016	0.75	ADORA3 (0.62)	ADORA3ADORA2AADORA1
SCHEMBL6660810	0.75	ADORA3 (0.52)	ADORA3ADORA2AADORA1
SCHEMBL6663728	0.72	ADORA3 (0.48)	ADORA3ADORA2AADORA1
SCHEMBL31163636	0.70	PIK3CD (0.45)	PTGS2PTGS1PIK3CD
SCHEMBL4066247	0.70	ADORA3 (0.57)	ADORA3ADORA2AADORA1

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
EP-1444982-A1	The use of purine derivatives as selective kinase inhibitors	MERCKLE GMBH (DE)	2004-08-11	—	—	EP	disclosed