Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.51 |
| ▸ | BUB1 | O43683 | 12/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL13865208 | 0.84 | BUB1 (0.48) | CYP2D6CYP1A2BUB1CHRM1ALDH1A1 | |
| SCHEMBL13865213 | 0.83 | CYP2D6 (0.72) | CYP2D6CYP1A2CYP3A4SCN8ACHRM1 | |
| SCHEMBL13865218 | 0.81 | BUB1 (0.48) | CYP2D6CYP1A2CYP3A4SCN8ABUB1 | |
| SCHEMBL13865202 | 0.81 | BUB1 (0.53) | BUB1CHRM1 | |
| Dimethylamine SCHEMBL1899545 | 0.80 | CYP2D6 (0.67) | CYP2D6CYP1A2CYP3A4SCN8AALDH1A1 | |
| SCHEMBL4425532 | 0.78 | BUB1 (0.45) | CYP2D6CYP1A2CYP3A4BUB1CHRM1 | |
| SCHEMBL13865194 | 0.78 | BUB1 (0.45) | CYP2D6CYP1A2CYP3A4BUB1CHRM1 | |
| SCHEMBL13865192 | 0.77 | BUB1 (0.46) | BUB1CHRM1 | |
| SCHEMBL13865196 | 0.76 | BUB1 (0.46) | BUB1CHRM1 | |
| SCHEMBL13865195 | 0.76 | BUB1 (0.46) | BUB1CHRM1 |
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-0934311-B1 | NEW HETEROCYCLYLMETHYL-SUBSTITUTED PYRAZOL DERIVATES | BAYER HEALTHCARE AG (DE) | 2009-05-13 | — | — | EP | disclosed |