SCHEMBL28469162 — predicted protein targets

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CTSK	P43235	4/20	0.58

▸	CTSS	P25774	3/20	0.58

▸	PSENEN	Q9NZ42	1/20	0.51

▸	CA2	P00918	3/20	0.45

▸	CA1	P00915	1/20	0.44

▸	CA7	P43166	1/20	0.44

▸	KDM4E	B2RXH2	2/20	0.40

▸	HTT	P42858	1/20	0.40

▸	CYP2D6	P10635	1/20	0.40

▸	ALDH1A1	P00352	1/20	0.39

▸	HPGD	P15428	1/20	0.39

▸	NPSR1	Q6W5P4	1/20	0.39

▸	TYR	P14679	1/20	0.39

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
SCHEMBL28461096	0.90	CTSK (0.54)	CTSKCTSSPSENENCA2CA1
SCHEMBL28461097	0.90	CTSK (0.54)	CTSKCTSSPSENENCA2CA1
SCHEMBL20118484	0.90	CTSK (0.54)	CTSKCTSSPSENENCA2CA1
SCHEMBL8466501	0.89	CTSS (0.59)	CTSKCTSSPSENENCA2CA1
SCHEMBL8466502	0.89	CTSS (0.59)	CTSKCTSSPSENENCA2CA1
SCHEMBL3730085	0.88	CTSK (0.58)	CTSKCTSSPSENENCA2CA1
SCHEMBL3730087	0.88	CTSK (0.58)	CTSKCTSSPSENENCA2CA1
SCHEMBL1486223	0.87	PSENEN (0.62)	CTSKCTSSPSENENCA2CA1
SCHEMBL245495	0.87	PSENEN (0.62)	CTSKCTSSPSENENCA2CA1
SCHEMBL9743636	0.87	CTSK (0.61)	CTSKCTSSPSENENCA2CA1

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
CN-108948084-B	Tenofovir di-L-amino acid ester and preparation method thereof	浙江司太立制药股份有限公司	2020-10-20	—	—	CN	disclosed