Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.40 |
| ▸ | HTR1B | P28222 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | CHAT | P28329 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4713483 | 1.00 | KDM4E (0.43) | KDM4ES1PR4HTR1BCYP1A2CYP2D6 | |
| SCHEMBL4710546 | 0.94 | KDM4E (0.42) | KDM4ES1PR4HTR1BRELACHAT | |
| SCHEMBL4710547 | 0.94 | KDM4E (0.42) | KDM4ES1PR4HTR1BRELACHAT | |
| SCHEMBL4711264 | 0.90 | CYP1A2 (0.41) | KDM4ES1PR4HTR1BCYP1A2CYP2D6 | |
| SCHEMBL4711267 | 0.90 | CYP1A2 (0.41) | KDM4ES1PR4HTR1BCYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL4713742 | 0.89 | CYP1A2 (0.40) | KDM4ES1PR4HTR1BCYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL4713745 | 0.89 | CYP1A2 (0.40) | KDM4ES1PR4HTR1BCYP1A2CYP2D6 | |
| SCHEMBL4711104 | 0.86 | S1PR4 (0.41) | S1PR4HTR1BCYP1A2CYP2C19RELA | |
| SCHEMBL4711103 | 0.86 | S1PR4 (0.41) | S1PR4HTR1BCYP1A2CYP2C19RELA | |
| SCHEMBL4713201 | 0.86 | HRH3 (0.44) | S1PR4HTR1BCYP1A2CYP2D6CYP2C19 |
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 4 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 |
| EP-0998459-B1 | PYRIDINE DERIVATIVES | NOVARTIS AG (CH) | 2008-04-23 | — | — | EP | disclosed |