SCHEMBL13776558 — predicted protein targets

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CA2	P00918	5/20	0.51

▸	CA1	P00915	4/20	0.51

▸	CASP3	P42574	2/20	0.51

▸	MAPK1	P28482	1/20	0.47

▸	PDF	Q9HBH1	1/20	0.47

▸	CTSK	P43235	3/20	0.46

▸	CASP1	P29466	1/20	0.45

▸	MMP2	P08253	5/20	0.44

▸	MMP3	P08254	5/20	0.44

▸	MMP1	P03956	3/20	0.44

▸	MMP7	P09237	1/20	0.44

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
SCHEMBL13019043	0.83	CASP3 (0.48)	CASP3PDFCTSKCASP1
SCHEMBL14048819	0.83	CASP3 (0.48)	CASP3PDFCTSKCASP1
SCHEMBL13020570	0.83	CASP3 (0.48)	CASP3PDFCTSKCASP1
SCHEMBL13018867	0.83	CASP3 (0.48)	CASP3PDFCTSKCASP1
SCHEMBL21020140	0.76	CA2 (0.45)	CA2CA1CASP3MAPK1CTSK
SCHEMBL11718333	0.75	CA2 (0.50)	CA2CA1CASP3MAPK1PDF
SCHEMBL2058687	0.75	CA2 (0.68)	CA2CA1MAPK1PDF
SCHEMBL20656646	0.74	CA2 (0.61)	CA2CA1MAPK1PDF
SCHEMBL11095965	0.73	CA2 (0.66)	CA2CA1MAPK1CTSK
SCHEMBL25732354	0.73	CA2 (0.66)	CA2CA1MAPK1PDF

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-2083014-A2	Inhibitors of interleukin-1ß converting enzyme	Vertex Pharmceuticals Incorporated (US)	2009-07-29	—	—	EP	disclosed