Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | HTR1B | P28222 | 2/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HRH1 | P35367 | 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 | |
|---|---|---|---|---|
| SCHEMBL4711192 | 1.00 | CYP1A2 (0.46) | CYP1A2CYP2D6CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL4711267 | 0.88 | CYP1A2 (0.41) | CYP1A2CYP2D6CYP2C19ALDH1A1MAOA | |
| SCHEMBL4711264 | 0.88 | CYP1A2 (0.41) | CYP1A2CYP2D6CYP2C19ALDH1A1MAOA | |
| Hydrochloric Acid SCHEMBL4713745 | 0.87 | CYP1A2 (0.40) | CYP1A2CYP2D6CYP2C19ALDH1A1MAOA | |
| Hydrochloric Acid SCHEMBL4713742 | 0.87 | CYP1A2 (0.40) | CYP1A2CYP2D6CYP2C19ALDH1A1MAOA | |
| SCHEMBL4710935 | 0.86 | HTR1B (0.45) | CYP1A2CYP2D6CYP2C19HTR1BBCHE | |
| SCHEMBL4710936 | 0.86 | HTR1B (0.45) | CYP1A2CYP2D6CYP2C19HTR1BBCHE | |
| Hydrochloric Acid SCHEMBL4713327 | 0.85 | HTR1B (0.44) | CYP1A2CYP2D6CYP2C19HTR1BBCHE | |
| Hydrochloric Acid SCHEMBL4713323 | 0.85 | HTR1B (0.44) | CYP1A2CYP2D6CYP2C19HTR1BBCHE | |
| SCHEMBL4713204 | 0.84 | HRH3 (0.44) | CYP1A2CYP2D6CYP2C19MAOAMAOB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0998459-B1 | PYRIDINE DERIVATIVES | NOVARTIS AG (CH) | 2008-04-23 | — | — | EP | claimed |
| EP-0998459-B1 | PYRIDINE DERIVATIVES | NOVARTIS AG (CH) | 2008-04-23 | — | — | EP | disclosed |