Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 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 | 0.88 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7837734 | 0.88 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7837500 | 0.84 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7835788 | 0.83 | ALDH1A1 (0.57) | ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7823856 | 0.83 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7833574 | 0.83 | CYP1A2 (0.50) | ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL27377682 | 0.81 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9216614 | 0.80 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9216603 | 0.80 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7833705 | 0.80 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19 |
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 4 patents. 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 |
| US-5302739-A | Chemical intermediates, herbicides | KUMIAI CHEMICAL INDUSTRY CO. (JP) | 1994-04-12 | — | — | US | disclosed |
| US-5118339-A | PYRIMIDINE DERIVATIVES AND HERBICIDAL COMPOSITION CONTAINING THE SAME | KUMIAI CHEMICAL CO. (JP) | 1992-06-02 | — | — | US | disclosed |
| EP-0435170-A2 | Pyrimidine or triazine derivatives and herbicidal composition containing the same | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1991-07-03 | — | — | EP | disclosed |