Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9221522 | 0.90 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2C9CYP2C19GAA | |
| SCHEMBL9222312 | 0.88 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2C9CYP2C19GAA | |
| SCHEMBL9316180 | 0.88 | CYP1A2 (0.48) | CYP1A2NPC1RAB9ACYP3A4CYP2C9 | |
| SCHEMBL9215199 | 0.87 | NPSR1 (0.53) | CYP1A2CYP3A4CYP2C9CYP2C19GAA | |
| SCHEMBL9217884 | 0.87 | CYP1A2 (0.41) | CYP1A2CYP3A4CYP2C9CYP2C19GAA | |
| SCHEMBL9215188 | 0.85 | ALDH1A1 (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19GAA | |
| SCHEMBL9622659 | 0.83 | CYP1A2 (0.55) | CYP1A2NPC1RAB9ACYP3A4CYP2C9 | |
| SCHEMBL9216591 | 0.82 | NPSR1 (0.60) | CYP1A2CYP3A4CYP2C9CYP2C19GAA | |
| SCHEMBL9222225 | 0.80 | CTSA (0.46) | CYP1A2CYP3A4CYP2C9CYP2C19GAA | |
| SCHEMBL9223212 | 0.79 | CYP1A2 (0.53) | CYP1A2NPC1RAB9ACYP3A4CYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0468690-B1 | Pyrimidine derivatives | SUMITOMO CHEMICAL CO (JP) | 1995-05-31 | — | — | EP | disclosed |
| US-5129938-A | Herbicides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1992-07-14 | — | — | US | disclosed |
| EP-0468690-A1 | Pyrimidine derivatives | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1992-01-29 | — | — | EP | disclosed |