SCHEMBL20177503 — predicted protein targets

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	PDE4A	P27815	7/20	0.39

▸	PDE4B	Q07343	3/20	0.39

▸	PDE4C	Q08493	3/20	0.39

▸	PDE4D	Q08499	3/20	0.39

▸	ALDH1A1	P00352	1/20	0.39

▸	CYP1A2	P05177	1/20	0.39

▸	CYP2C19	P33261	1/20	0.39

▸	FPR1	P21462	6/20	0.37

▸	FPR2	P25090	5/20	0.37

▸	MTNR1A	P48039	1/20	0.37

▸	SCN8A	Q9UQD0	2/20	0.37

▸	TSHR	P16473	1/20	0.36

▸	PKM	P14618	1/20	0.33

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
SCHEMBL23653985	1.00	PDE4A (0.39)	PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL20177585	0.86	PDE4A (0.41)	PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL18590506	0.83	PDE4A (0.42)	PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL18590497	0.83	PDE4A (0.42)	PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL20177572	0.83	PDE4A (0.39)	PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL20177816	0.83	PDE4A (0.39)	PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL19559475	0.83	PDE4A (0.39)	PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL18117805	0.82	MTNR1A (0.50)	PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL21527867	0.81	MTNR1A (0.41)	PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL21527868	0.81	MTNR1A (0.41)	PDE4APDE4BPDE4CPDE4DALDH1A1

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-2018092916-A1	NITROGEN-CONTAINING POLYCYCLIC HETEROCYCLIC DERIVATIVE	宇部興産株式会社	2018-05-24	—	—	WO	disclosed