Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7835989 | 0.90 | ALDH1A1 (0.55) | CYP1A2CYP2C9CYP2C19CYP3A4GAA | |
| SCHEMBL7822890 | 0.86 | CYP1A2 (0.47) | CYP1A2CYP2C9CYP2C19CYP3A4GAA | |
| SCHEMBL7833576 | 0.84 | CYP1A2 (0.49) | CYP1A2CYP2C9CYP2C19CYP3A4GAA | |
| SCHEMBL7833570 | 0.84 | CYP1A2 (0.49) | CYP1A2CYP2C9CYP2C19CYP3A4GAA | |
| SCHEMBL7833710 | 0.83 | ALDH1A1 (0.52) | CYP1A2CYP2C9CYP2C19CYP3A4GAA | |
| SCHEMBL9294680 | 0.82 | CA12 (0.56) | CYP1A2CYP2C9CYP2C19CYP3A4GAA | |
| SCHEMBL9622245 | 0.81 | NPSR1 (0.58) | CYP1A2CYP2C9CYP2C19CYP3A4GAA | |
| SCHEMBL7823856 | 0.81 | ALDH1A1 (0.52) | CYP1A2CYP2C9CYP2C19CYP3A4GAA | |
| SCHEMBL9683012 | 0.81 | CYP1A2 (0.68) | CYP1A2CYP2C9CYP2C19CYP3A4GAA | |
| SCHEMBL7832466 | 0.80 | ALDH1A1 (0.44) | CYP1A2CYP2C9CYP2C19CYP3A4GAA |
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-0435170-B1 | Pyrimidine or triazine derivatives and herbicidal composition containing the same | KUMIAI CHEMICAL INDUSTRY CO (JP) | 2001-05-09 | — | — | EP | disclosed |