SCHEMBL19986567 — predicted protein targets

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	ALDH1A1	P00352	1/20	0.42

▸	MAPT	P10636	1/20	0.42

▸	FDPS	P14324	1/20	0.39

▸	PRSS1	P07477	7/20	0.38

▸	ADH1B	P00325	1/20	0.38

▸	ADH1C	P00326	1/20	0.38

▸	ADH1A	P07327	1/20	0.38

▸	ADH7	P40394	1/20	0.38

▸	ACHE	P22303	4/20	0.37

▸	F2	P00734	2/20	0.37

▸	PRSS2	P07478	2/20	0.37

▸	PRSS3	P35030	2/20	0.37

▸	TMPRSS6	Q8IU80	2/20	0.37

▸	ST14	Q9Y5Y6	2/20	0.37

▸	CTSD	P07339	1/20	0.37

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
SCHEMBL12336757	0.81	ALDH1A1 (0.68)	ALDH1A1MAPTPRSS1ADH1BADH1C
SCHEMBL21945807	0.78	PRSS1 (0.46)	ALDH1A1MAPTPRSS1ADH1BADH1C
SCHEMBL5514998	0.76	HRH1 (0.46)	ALDH1A1
SCHEMBL2352696	0.75	NAAA (0.50)	ALDH1A1MAPTACHEF2CTSD
SCHEMBL10274903	0.75	MAPT (0.46)	ALDH1A1MAPTFDPSPRSS1ACHE
SCHEMBL25383583	0.73	NAAA (0.53)	ALDH1A1MAPTACHE
SCHEMBL11470674	0.73	NAAA (0.53)	ALDH1A1MAPTACHE
SCHEMBL863456	0.73	NAAA (0.53)	ALDH1A1MAPTACHE
SCHEMBL11487106	0.73	NAAA (0.53)	ALDH1A1MAPTACHE
SCHEMBL11477556	0.73	NAAA (0.53)	ALDH1A1MAPTACHE

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-2018050110-A1	NOVEL CAPSID PROTEIN ASSEMBLY INHIBITOR	正大天晴药业集团股份有限公司	2018-03-22	—	—	WO	disclosed