SCHEMBL8361685 — predicted protein targets

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CTSS	P25774	16/20	0.38

▸	MEN1	O00255	1/20	0.37

▸	ALDH1A1	P00352	1/20	0.37

▸	HTT	P42858	1/20	0.37

▸	KMT2A	Q03164	1/20	0.37

▸	CYP3A4	P08684	1/20	0.36

▸	CYP2C9	P11712	1/20	0.36

▸	CTSL	P07711	1/20	0.36

▸	CTSK	P43235	1/20	0.36

▸	PIN1	Q13526	1/20	0.36

▸	REN	P00797	1/20	0.35

▸	KDM4E	B2RXH2	1/20	0.35

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
SCHEMBL6076981	0.90	CTSS (0.40)	CTSSMEN1ALDH1A1HTTKMT2A
SCHEMBL6076733	0.89	CTSS (0.42)	CTSSMEN1ALDH1A1HTTKMT2A
SCHEMBL6077978	0.89	CTSS (0.37)	CTSSMEN1ALDH1A1HTTKMT2A
SCHEMBL6077085	0.89	CTSS (0.40)	CTSSMEN1ALDH1A1HTTKMT2A
SCHEMBL5955835	0.83	CTSS (0.39)	CTSSMEN1ALDH1A1HTTKMT2A
SCHEMBL6230662	0.83	CTSS (0.39)	CTSSMEN1ALDH1A1HTTKMT2A
SCHEMBL5955844	0.83	CTSS (0.39)	CTSSMEN1ALDH1A1HTTKMT2A
SCHEMBL5955027	0.79	PIN1 (0.39)	CTSSMEN1ALDH1A1HTTKMT2A
SCHEMBL6267825	0.79	PIN1 (0.39)	CTSSMEN1ALDH1A1HTTKMT2A
SCHEMBL5955827	0.79	PIN1 (0.39)	CTSSMEN1ALDH1A1HTTKMT2A

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-2004002491-A1	MORPHOLINE AND TETRAHYDROPYRAN DRIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS	AVENTIS PHARMACEUTICALS INC. (US)	2004-01-08	—	—	WO	disclosed