Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | S1PR4 | O95977 | 6/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | THPO | P40225 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | HTR1B | P28222 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4710981 | 0.90 | GRM5 (0.47) | CYP1A2CYP2D6CYP2C19S1PR4HPGD | |
| SCHEMBL4711351 | 0.85 | S1PR4 (0.41) | S1PR4MAPTHPGDNPC1LMNA | |
| SCHEMBL4711565 | 0.84 | HTR1B (0.45) | CYP1A2CYP2D6CYP2C19HRH3HPGD | |
| SCHEMBL7348551 | 0.83 | KDM4E (0.42) | CYP1A2CYP2D6CYP2C19MAPK1ALDH1A1 | |
| SCHEMBL4710329 | 0.82 | CYP1A2 (0.46) | CYP1A2CYP2D6CYP2C19HTR1B | |
| SCHEMBL4712830 | 0.82 | ALDH1A1 (0.39) | CYP1A2CYP2D6CYP2C19MAPK1ALDH1A1 | |
| SCHEMBL4710572 | 0.81 | THRA (0.37) | CYP1A2CYP2D6CYP2C19HPGDMAPK1 | |
| SCHEMBL4712681 | 0.81 | GRM5 (0.42) | CYP1A2CYP2D6CYP2C19HTR1B | |
| SCHEMBL4712038 | 0.78 | GRM5 (0.49) | — | |
| SCHEMBL4713011 | 0.75 | GRM5 (0.49) | S1PR4 |
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 |