SCHEMBL2937081 — predicted protein targets

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	HSP90AA1	P07900	1/20	0.33

▸	HSP90AB1	P08238	1/20	0.33

▸	CYP2C19	P33261	1/20	0.33

▸	ADORA2A	P29274	1/20	0.32

▸	HK1	P19367	1/20	0.31

▸	HKDC1	Q2TB90	1/20	0.31

▸	BACE1	P56817	1/20	0.31

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
SCHEMBL2936424	0.90	HK1 (0.34)	HSP90AA1HSP90AB1CYP2C19ADORA2AHK1
SCHEMBL2937343	0.89	CYP1A2 (0.36)	CYP2C19ADORA2A
SCHEMBL2943049	0.89	CYP2C19 (0.34)	HSP90AA1HSP90AB1CYP2C19ADORA2AHK1
SCHEMBL2914520	0.86	HSP90AA1 (0.31)	HSP90AA1HSP90AB1CYP2C19ADORA2A
SCHEMBL4268504	0.86	HK1 (0.32)	HSP90AA1HSP90AB1CYP2C19ADORA2AHK1
SCHEMBL2991768	0.84	ADORA2A (0.34)	HSP90AA1HSP90AB1CYP2C19ADORA2AHK1
SCHEMBL3290816	0.79	HSP90AA1 (0.36)	HSP90AA1HSP90AB1CYP2C19ADORA2AHK1
SCHEMBL2941709	0.79	HK1 (0.35)	HSP90AA1HSP90AB1CYP2C19ADORA2AHK1
SCHEMBL2913792	0.78	HSP90AA1 (0.32)	HSP90AA1HSP90AB1CYP2C19ADORA2AHK1
SCHEMBL2910744	0.78	ABCB11 (0.40)	HSP90AA1HSP90AB1CYP2C19ADORA2A

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-1358198-B1	NOVEL ACYCLIC NUCLEOSIDE PHOSPHONATE DERIVATIVES, SALTS THEREOF AND PROCESS FOR THE PREPARATION OF THE SAME	LG LIFE SCIENCES LTD (KR)	2010-08-25	—	—	EP	claimed