SCHEMBL30006601 — predicted protein targets

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CYP3A4	P08684	1/20	0.38

▸	TSHR	P16473	1/20	0.38

▸	MAPK1	P28482	1/20	0.38

▸	DRD3	P35462	1/20	0.35

▸	CYP1A2	P05177	2/20	0.34

▸	PDE3B	Q13370	1/20	0.32

▸	PDE3A	Q14432	1/20	0.32

▸	LMNA	P02545	1/20	0.32

▸	ALDH1A1	P00352	3/20	0.31

▸	ESR2	Q92731	1/20	0.31

▸	ALOX15	P16050	1/20	0.31

▸	CASP7	P55210	1/20	0.31

▸	HIF1A	Q16665	1/20	0.31

▸	HSD17B10	Q99714	1/20	0.31

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
SCHEMBL356846	0.97	TSHR (0.40)	CYP3A4TSHRMAPK1DRD3CYP1A2
SCHEMBL8909014	0.84	CYP1A2 (0.38)	CYP3A4TSHRMAPK1DRD3CYP1A2
SCHEMBL9376593	0.81	APEX1 (0.38)	TSHRDRD3CYP1A2PDE3BPDE3A
SCHEMBL21218742	0.78	CYP1A2 (0.43)	CYP3A4TSHRMAPK1DRD3CYP1A2
SCHEMBL23249000	0.77	CYP3A4 (0.32)	CYP3A4TSHRMAPK1DRD3CYP1A2
SCHEMBL13429870	0.77	CYP3A4 (0.32)	CYP3A4TSHRMAPK1DRD3CYP1A2
SCHEMBL18061824	0.77	CYP3A4 (0.32)	CYP3A4TSHRMAPK1DRD3CYP1A2
SCHEMBL7456448	0.77	CYP3A4 (0.40)	CYP3A4TSHRMAPK1DRD3CYP1A2
SCHEMBL6379025	0.77	CYP3A4 (0.32)	CYP3A4TSHRMAPK1DRD3CYP1A2
SCHEMBL9566864	0.77	CYP3A4 (0.50)	CYP3A4TSHRMAPK1CYP1A2LMNA

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-110475783-B	Cationic ruthenium complex, preparation method and application thereof	高砂香料工业株式会社	2022-10-21	—	—	CN	disclosed