Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1B | P28222 | 2/20 | 0.45 |
| ▸ | BCHE | P06276 | 5/20 | 0.44 |
| ▸ | ACHE | P22303 | 5/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | LSS | P48449 | 1/20 | 0.40 |
| ▸ | TOP2A | P11388 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4710935 | 1.00 | HTR1B (0.45) | HTR1BBCHEACHEHRH1HRH3 | |
| Hydrochloric Acid SCHEMBL4713327 | 0.99 | HTR1B (0.44) | HTR1BBCHEACHEHRH1HRH3 | |
| Hydrochloric Acid SCHEMBL4713323 | 0.99 | HTR1B (0.44) | HTR1BBCHEACHEHRH1HRH3 | |
| SCHEMBL4713204 | 0.88 | HRH3 (0.44) | HTR1BHRH3CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL4713201 | 0.88 | HRH3 (0.44) | HTR1BHRH3CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL27541419 | 0.87 | ALDH1A1 (0.43) | HTR1BBCHEACHEHRH1CYP2D6 | |
| Hydrochloric Acid SCHEMBL4711111 | 0.86 | HRH3 (0.43) | HRH3CYP1A2CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL4711116 | 0.86 | HRH3 (0.43) | HRH3CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL4711191 | 0.86 | CYP1A2 (0.46) | HTR1BBCHEACHEHRH1CYP1A2 | |
| SCHEMBL4711192 | 0.86 | CYP1A2 (0.46) | HTR1BBCHEACHEHRH1CYP1A2 |
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 3 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-A2 | PYRIDINE DERIVATIVES | Novartis AG (CH) | 2000-05-10 | — | — | EP | claimed |
| WO-1999002497-A2 | PYRIDINE DERIVATIVES | NOVARTIS AG (CH) | 1999-01-21 | — | — | WO | claimed |