Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL9194907 | 0.88 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2C9CYP2C19GAA | |
| SCHEMBL9730537 | 0.83 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19GAA | |
| SCHEMBL732024 | 0.82 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP2C9CYP2C19GAA | |
| SCHEMBL27377682 | 0.81 | ALDH1A1 (0.61) | CYP1A2CYP3A4CYP2C9CYP2C19GAA | |
| SCHEMBL9214711 | 0.81 | NPSR1 (0.55) | CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL9195996 | 0.80 | ALDH1A1 (0.56) | CYP1A2CYP3A4CYP2C9CYP2C19GAA | |
| SCHEMBL28510558 | 0.80 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19GAA | |
| SCHEMBL9193808 | 0.80 | ALDH1A1 (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19GAA | |
| SCHEMBL8802589 | 0.79 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19GAA | |
| SCHEMBL9622353 | 0.79 | NPSR1 (0.58) | CYP1A2CYP3A4CYP2C9CYP2C19GAA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0321846-B1 | Pyrimidine derivatives, processes for their production, and herbicidal method and compositions | KUMIAI CHEMICAL INDUSTRY CO (JP) | 1995-04-19 | — | — | EP | disclosed |
| US-5114463-A | Bispyrimidinyloxybenzoic acids | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1992-05-19 | — | — | US | disclosed |
| US-5081244-A | PYRIMIDINE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION, AND HERBICIDAL METHOD AND COMPOSITIONS | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1992-01-14 | — | — | US | disclosed |
| US-4906285-A | Pyrimidine derivatives and herbicidal method and compositions | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1990-03-06 | — | — | US | disclosed |
| EP-0321846-A2 | Pyrimidine derivatives, processes for their production, and herbicidal method and compositions | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1989-06-28 | — | — | EP | disclosed |