SCHEMBL13458409 — predicted protein targets

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	AHCY	P23526	15/20	0.44

▸	ADORA2A	P29274	4/20	0.34

▸	ADORA3	P0DMS8	2/20	0.33

▸	ADORA1	P30542	2/20	0.33

▸	PI4KA	P42356	2/20	0.33

▸	PI4K2B	Q8TCG2	2/20	0.33

▸	PI4K2A	Q9BTU6	2/20	0.33

▸	PI4KB	Q9UBF8	2/20	0.33

▸	ADORA2B	P29275	1/20	0.33

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
SCHEMBL13458411	0.90	AHCY (0.55)	AHCYADORA2AADORA3ADORA1PI4KA
SCHEMBL12633450	0.79	AHCY (0.55)	AHCYADORA2AADORA3ADORA1PI4KA
SCHEMBL12634623	0.79	AHCY (0.55)	AHCYADORA2AADORA3ADORA1PI4KA
SCHEMBL2026537	0.78	AHCY (0.48)	AHCY
SCHEMBL13458410	0.75	AHCY (0.50)	AHCY
SCHEMBL13457933	0.73	AHCY (0.59)	AHCYADORA2AADORA3ADORA1ADORA2B
SCHEMBL1934441	0.72	ADORA2A (0.63)	AHCYADORA2AADORA3ADORA1PI4KA
SCHEMBL12280365	0.72	ADORA2A (0.63)	AHCYADORA2AADORA3ADORA1PI4KA
SCHEMBL12573420	0.72	AHCY (0.81)	AHCY
SCHEMBL12573439	0.71	AHCY (0.80)	AHCY

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
WO-2010027935-A1	AHCY HYDROLASE INHIBITORS FOR TREATMENT OF HYPER HOMOCYSTEINEMIA	MERCK SHARP & DOHME CORP. (US)	2010-03-11	—	—	WO	disclosed