SCHEMBL29640781 — predicted protein targets

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	ROCK2	O75116	1/20	0.37

▸	ROCK1	Q13464	1/20	0.37

▸	FAAH	O00519	2/20	0.35

▸	ADORA2A	P29274	1/20	0.34

▸	HCRTR1	O43613	2/20	0.34

▸	HCRTR2	O43614	2/20	0.34

▸	DKK1	O94907	2/20	0.32

▸	NAMPT	P43490	1/20	0.30

▸	DYRK1A	Q13627	2/20	0.30

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
SCHEMBL29640968	0.92	FAAH (0.34)	ROCK2ROCK1FAAHDKK1
SCHEMBL29640920	0.92	ROCK2 (0.36)	ROCK2ROCK1FAAHHCRTR1HCRTR2
SCHEMBL29640782	0.90	ROCK2 (0.41)	ROCK2ROCK1FAAHHCRTR1HCRTR2
SCHEMBL29640788	0.89	ALDH1A1 (0.38)	FAAH
SCHEMBL29640793	0.84	ROCK2 (0.38)	ROCK2ROCK1FAAHADORA2AHCRTR1
SCHEMBL29640778	0.83	ROCK2 (0.38)	ROCK2ROCK1ADORA2AHCRTR1HCRTR2
SCHEMBL29640816	0.75	ADORA2A (0.32)	ROCK2ROCK1FAAHADORA2ANAMPT
SCHEMBL29627736	0.75	ROCK2 (0.57)	ROCK2ROCK1
SCHEMBL29640810	0.73	DYRK1A (0.36)	ROCK2DYRK1A
SCHEMBL29640878	0.73	DYRK1A (0.32)	DYRK1A

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-114502163-A	Ethynylheterocycles as RHO-related coiled coil kinase (ROCK) inhibitors	安吉昂生物医药公司	2022-05-13	—	—	CN	disclosed