Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 16/20 | 0.52 |
| ▸ | HTR2B | P41595 | 15/20 | 0.52 |
| ▸ | HTR2A | P28223 | 13/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13627314 | 1.00 | HTR2C (0.52) | HTR2CHTR2BHTR2AALDH1A1CHRNB2 | |
| SCHEMBL13627304 | 1.00 | HTR2C (0.52) | HTR2CHTR2BHTR2AALDH1A1CHRNB2 | |
| SCHEMBL13627299 | 1.00 | HTR2C (0.52) | HTR2CHTR2BHTR2AALDH1A1CHRNB2 | |
| Hydrochloric Acid SCHEMBL4482907 | 0.99 | HTR2C (0.53) | HTR2CHTR2BHTR2AALDH1A1CHRNB2 | |
| Hydrochloric Acid SCHEMBL4472329 | 0.99 | HTR2C (0.53) | HTR2CHTR2BHTR2AALDH1A1CHRNB2 | |
| Hydrochloric Acid SCHEMBL4482898 | 0.99 | HTR2C (0.53) | HTR2CHTR2BHTR2AALDH1A1CHRNB2 | |
| Hydrochloric Acid SCHEMBL4487985 | 0.99 | HTR2C (0.53) | HTR2CHTR2BHTR2AALDH1A1CHRNB2 | |
| SCHEMBL4474244 | 0.77 | HTR2C (0.49) | HTR2CHTR2BHTR2AALDH1A1 | |
| SCHEMBL13627318 | 0.77 | HTR2C (0.49) | HTR2CHTR2BHTR2AALDH1A1 | |
| SCHEMBL4476708 | 0.77 | HTR2C (0.49) | HTR2CHTR2BHTR2AALDH1A1 |
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-7618980-B2 | Pyrrolo(oxo)quinolines as 5HT ligands | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-11-17 | — | — | US | disclosed |