SCHEMBL11021080 — predicted protein targets

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	PTGS2	P35354	6/20	0.39

▸	SLC9A3	P48764	2/20	0.35

▸	KCNH2	Q12809	2/20	0.34

▸	HTR2A	P28223	2/20	0.33

▸	HRH1	P35367	2/20	0.33

▸	GPR174	Q9BXC1	1/20	0.33

▸	SCN5A	Q14524	1/20	0.33

▸	PTGS1	P23219	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
Hydrochloric Acid SCHEMBL10855552	0.99	PTGS2 (0.38)	PTGS2SLC9A3KCNH2HTR2AHRH1
SCHEMBL11019998	0.82	HTR2A (0.35)	HTR2AHRH1
SCHEMBL11022069	0.81	SMN1; SMN2 (0.43)	KCNH2HTR2AHRH1
SCHEMBL11018524	0.81	HTR2A (0.44)	KCNH2HTR2AHRH1
SCHEMBL11018166	0.81	HTR2A (0.48)	HTR2A
Hydrochloric Acid SCHEMBL10857036	0.81	KCNH2 (0.44)	KCNH2HTR2AHRH1
Hydrochloric Acid SCHEMBL10857042	0.81	KCNH2 (0.44)	KCNH2HTR2AHRH1
Hydrochloric Acid SCHEMBL10853181	0.81	HTR2A (0.34)	KCNH2HTR2AHRH1
Hydrochloric Acid SCHEMBL10855338	0.80	SRD5A2 (0.38)	KCNH2HTR2AHRH1
Hydrochloric Acid SCHEMBL10854594	0.79	HTR2A (0.49)	HTR2A

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
EP-0139296-A2	Dihydroisoquinoline derivatives	BEECHAM GROUP PLC (GB)	1985-05-02	—	—	EP	claimed