SCHEMBL19086238 — predicted protein targets

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	EPHX2	P34913	5/20	0.42

▸	MMP13	P45452	2/20	0.40

▸	ALDH1A1	P00352	1/20	0.39

▸	L3MBTL1	Q9Y468	1/20	0.39

▸	PRMT5	O14744	4/20	0.38

▸	WDR77	Q9BQA1	4/20	0.38

▸	SLC8A1	P32418	1/20	0.37

▸	HTT	P42858	1/20	0.37

▸	SMN1; SMN2	Q16637	1/20	0.37

▸	TRPA1	O75762	1/20	0.36

▸	KDM1A	O60341	4/20	0.36

▸	HDAC6	Q9UBN7	3/20	0.36

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
SCHEMBL19086232	0.87	EPHX2 (0.43)	EPHX2MMP13PRMT5WDR77SLC8A1
SCHEMBL19086245	0.82	HDAC6 (0.43)	ALDH1A1L3MBTL1PRMT5WDR77HTT
SCHEMBL19087005	0.81	KDM1A (0.41)	ALDH1A1L3MBTL1PRMT5WDR77HTT
SCHEMBL19086203	0.80	PRMT5 (0.40)	ALDH1A1L3MBTL1PRMT5WDR77HTT
SCHEMBL19087010	0.80	KDM1A (0.41)	ALDH1A1L3MBTL1PRMT5WDR77HTT
SCHEMBL19086315	0.80	KDM1A (0.47)	ALDH1A1L3MBTL1PRMT5WDR77KDM1A
SCHEMBL19086189	0.79	PRMT5 (0.48)	ALDH1A1L3MBTL1PRMT5WDR77HTT
SCHEMBL19086204	0.79	ALDH1A1 (0.43)	ALDH1A1L3MBTL1PRMT5WDR77HTT
SCHEMBL19086019	0.78	ALDH1A1 (0.41)	ALDH1A1L3MBTL1PRMT5WDR77HTT
SCHEMBL19086207	0.77	PRMT5 (0.36)	ALDH1A1PRMT5WDR77HDAC6

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-2017114275-A1	COMPOUND FOR INHIBITING ROCK, PREPARATION METHOD AND USE OF SAME	成都先导药物开发有限公司	2017-07-06	—	—	WO	disclosed