SCHEMBL6901592 — predicted protein targets

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CTSS	P25774	1/20	0.39

▸	CTSK	P43235	1/20	0.39

▸	MME	P08473	1/20	0.38

▸	ACE	P12821	1/20	0.38

▸	CPA1	P15085	1/20	0.38

▸	ACE2	Q9BYF1	1/20	0.38

▸	SIRT2	Q8IXJ6	5/20	0.37

▸	F2	P00734	1/20	0.36

▸	MMP9	P14780	2/20	0.35

▸	MMP8	P22894	1/20	0.35

▸	MMP14	P50281	1/20	0.35

▸	HDAC3	O15379	1/20	0.35

▸	TSHR	P16473	1/20	0.35

▸	ITGB3	P05106	1/20	0.35

▸	ITGAV	P06756	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
Trifluoroacetic Acid SCHEMBL1907847	0.94	CTSS (0.41)	CTSSCTSKMMEACECPA1
SCHEMBL1902910	0.85	F2 (0.42)	CTSSCTSKMMEACECPA1
SCHEMBL1902912	0.85	F2 (0.42)	CTSSCTSKMMEACECPA1
SCHEMBL1905660	0.80	MME (0.51)	CTSSCTSKMMEACECPA1
SCHEMBL1905678	0.80	MME (0.43)	CTSSCTSKMMEACECPA1
SCHEMBL1907892	0.80	AKT1 (0.46)	SIRT2
SCHEMBL1907890	0.80	AKT1 (0.46)	SIRT2
SCHEMBL1908220	0.79	CTSS (0.64)	CTSSCTSK
SCHEMBL1865384	0.78	MASP2 (0.42)	CTSSCTSK
SCHEMBL1865386	0.78	MASP2 (0.42)	CTSSCTSK

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-2011051673-A1	AMINOTHIAZOLE DERIVATIVES USEFUL AS KLK1 INHIBITORS	VANTIA LIMITED (GB)	2011-05-05	—	—	WO	disclosed