Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | BCHE | P06276 | 5/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13490509 | 0.88 | BCHE (0.51) | CYP3A4CYP2C9ALDH1A1CYP2D6CYP1A2 | |
| SCHEMBL3468098 | 0.79 | SCN4A (0.42) | CYP3A4CYP2C9MAPTDRD2DRD4 | |
| SCHEMBL23812334 | 0.76 | CRBN (0.54) | CYP3A4CYP2C9 | |
| SCHEMBL171619 | 0.76 | PDE2A (0.55) | CYP3A4ALDH1A1CYP2D6CYP1A2KDM4E | |
| SCHEMBL13490479 | 0.72 | MAPT (0.44) | CYP3A4CYP2C9ALDH1A1CYP2D6CYP1A2 | |
| SCHEMBL13592728 | 0.72 | PDE2A (0.46) | CYP3A4ALDH1A1CYP2D6CYP1A2BCHE | |
| SCHEMBL171454 | 0.72 | CYP3A4 (0.43) | CYP3A4CYP2C9ALDH1A1CYP2D6CYP1A2 | |
| SCHEMBL13490514 | 0.71 | CYP3A4 (0.58) | CYP3A4CYP2C9ALDH1A1CYP2D6CYP1A2 | |
| SCHEMBL13490595 | 0.71 | RET (0.46) | CYP3A4CYP2C9ALDH1A1CYP2D6CYP1A2 | |
| SCHEMBL13490427 | 0.70 | CYP2D6 (0.48) | CYP3A4ALDH1A1CYP2D6CYP1A2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-2426120-A1 | Pyridyltetrahydropyridines and pyridylpiperidines, and method of manufacturing them | Fujifilm Finechemicals Co., Ltd. (JP) | 2012-03-07 | — | — | EP | disclosed |