SCHEMBL4691378 — predicted protein targets

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CCR5	P51681	6/20	0.43

▸	ROCK2	O75116	3/20	0.41

▸	ROCK1	Q13464	3/20	0.41

▸	UTS2R	Q9UKP6	7/20	0.40

▸	ALDH1A1	P00352	2/20	0.39

▸	GAA	P10253	2/20	0.39

▸	MEN1	O00255	1/20	0.38

▸	KMT2A	Q03164	1/20	0.38

▸	LMNA	P02545	1/20	0.37

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
SCHEMBL4692359	0.93	CCR5 (0.42)	CCR5ROCK2ROCK1UTS2RALDH1A1
SCHEMBL4694012	0.93	CCR5 (0.42)	CCR5ROCK2ROCK1UTS2RGAA
SCHEMBL4690858	0.92	CCR5 (0.48)	CCR5ROCK2ROCK1UTS2R
SCHEMBL4696387	0.92	CCR5 (0.47)	CCR5ROCK2ROCK1UTS2R
SCHEMBL4691949	0.92	UTS2R (0.49)	CCR5ROCK2ROCK1UTS2RGAA
SCHEMBL4694765	0.92	CCR5 (0.44)	CCR5ROCK2ROCK1UTS2R
SCHEMBL4691873	0.91	ACHE (0.45)	CCR5ROCK2ROCK1ALDH1A1LMNA
SCHEMBL4691927	0.90	CCR5 (0.51)	CCR5UTS2RALDH1A1MEN1KMT2A
SCHEMBL4694537	0.90	CCR5 (0.44)	CCR5ROCK2ROCK1UTS2R
SCHEMBL4695072	0.90	CCR5 (0.43)	CCR5ROCK2ROCK1UTS2R

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-1761542-B1	OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS	HOFFMANN LA ROCHE (CH)	2008-01-02	—	—	EP	claimed