SCHEMBL7414032 — predicted protein targets

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CASP1	P29466	2/20	0.47

▸	ANPEP	P15144	1/20	0.45

▸	MMP2	P08253	6/20	0.45

▸	MMP3	P08254	3/20	0.45

▸	MMP1	P03956	2/20	0.45

▸	MMP9	P14780	1/20	0.45

▸	HTT	P42858	1/20	0.44

▸	CTNNB1	P35222	3/20	0.42

▸	POLB	P06746	1/20	0.40

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
SCHEMBL7410916	0.91	MMP3 (0.46)	CASP1MMP2MMP3MMP1MMP9
SCHEMBL7411011	0.89	MMP3 (0.53)	CASP1MMP2MMP3MMP1MMP9
SCHEMBL7411983	0.89	CTNNB1 (0.46)	CASP1MMP3CTNNB1
SCHEMBL7411172	0.89	CTNNB1 (0.49)	CASP1MMP2MMP3CTNNB1
SCHEMBL7408170	0.86	CASP1 (0.47)	CASP1MMP2MMP3MMP1MMP9
SCHEMBL7406669	0.86	MMP3 (0.51)	CASP1MMP2MMP3MMP1CTNNB1
SCHEMBL7411432	0.85	CTSB (0.45)	CASP1MMP2MMP3CTNNB1
SCHEMBL7408148	0.83	MMP3 (0.44)	CASP1MMP2MMP3MMP9CTNNB1
SCHEMBL7406317	0.80	MMP3 (0.48)	CASP1MMP2MMP3MMP1MMP9
SCHEMBL7411007	0.80	CASP1 (0.45)	CASP1MMP2MMP3MMP1MMP9

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-2002076968-A1	MALONATES AS INHIBITORS OF THE ICE/CED-6 FAMILY OF CYSTEINE PROTEASES	NOVARTIS AG (CH)	2002-10-03	—	—	WO	disclosed