Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 7/20 | 0.44 |
| ▸ | DRD3 | P35462 | 6/20 | 0.44 |
| ▸ | DRD4 | P21917 | 3/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6596564 | 0.86 | ALDH1A1 (0.48) | ALDH1A1CYP2D6CYP2C9ALOX15MAPK1 | |
| SCHEMBL6597850 | 0.83 | ALDH1A1 (0.48) | ALDH1A1CYP2D6CYP2C9ALOX15MAPK1 | |
| SCHEMBL6589297 | 0.82 | ALDH1A1 (0.47) | ALDH1A1CYP2D6CYP2C9ALOX15MAPK1 | |
| SCHEMBL6590179 | 0.81 | ALDH1A1 (0.47) | ALDH1A1CYP2D6CYP2C9ALOX15MAPK1 | |
| SCHEMBL6593361 | 0.81 | ALDH1A1 (0.48) | ALDH1A1CYP2D6CYP2C9ALOX15MAPK1 | |
| SCHEMBL6594534 | 0.80 | ALDH1A1 (0.47) | ALDH1A1CYP2D6CYP2C9ALOX15MAPK1 | |
| SCHEMBL6595118 | 0.80 | ALDH1A1 (0.47) | ALDH1A1CYP2D6CYP2C9ALOX15MAPK1 | |
| SCHEMBL6594283 | 0.79 | ALDH1A1 (0.48) | ALDH1A1CYP2D6CYP2C9ALOX15MAPK1 | |
| SCHEMBL6595157 | 0.79 | ALDH1A1 (0.46) | ALDH1A1CYP2D6CYP2C9ALOX15MAPK1 | |
| SCHEMBL6593037 | 0.79 | ALDH1A1 (0.47) | ALDH1A1CYP2D6CYP2C9ALOX15MAPK1 |
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-1289964-B1 | SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2004-10-20 | — | — | EP | disclosed |