SCHEMBL65232 — predicted protein targets

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	TMEM97	Q5BJF2	4/20	0.37

▸	SIGMAR1	Q99720	4/20	0.37

▸	POLB	P06746	1/20	0.36

▸	PDK1	Q15118	1/20	0.36

▸	PDK2	Q15119	1/20	0.36

▸	PDK3	Q15120	1/20	0.36

▸	PDK4	Q16654	1/20	0.36

▸	USP30	Q70CQ3	1/20	0.35

▸	PDE4B	Q07343	1/20	0.35

▸	PPARG	P37231	1/20	0.35

▸	PPARA	Q07869	1/20	0.35

▸	HTR2C	P28335	1/20	0.35

▸	HDAC1	Q13547	1/20	0.34

▸	HDAC2	Q92769	1/20	0.34

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
SCHEMBL65686	0.89	PDK1 (0.38)	POLBPDK1PDK2PDK3PDK4
SCHEMBL64234	0.82	L3MBTL1 (0.36)	PDK1PDK2PDK3PDK4USP30
SCHEMBL64057	0.80	PPARG (0.39)	USP30PDE4BPPARGPPARA
SCHEMBL64676	0.79	PDK1 (0.39)	POLBPDK1PDK2PDK3PDK4
SCHEMBL15341340	0.79	PDK1 (0.45)	POLBPDK1PDK2PDK3PDK4
SCHEMBL8699830	0.77	POLB (0.49)	POLBPDK1PDK2PDK3PDK4
SCHEMBL13340947	0.77	POLB (0.49)	POLBPDK1PDK2PDK3PDK4
SCHEMBL1058641	0.77	POLB (0.49)	POLBPDK1PDK2PDK3PDK4
SCHEMBL1058639	0.77	POLB (0.49)	POLBPDK1PDK2PDK3PDK4
SCHEMBL65231	0.75	CHRM5 (0.39)	TMEM97SIGMAR1POLBPDK1PDK2

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
US-8129538-B1	Renin inhibitors	TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP)	2012-03-06	—	—	US	disclosed