Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 5/20 | 0.39 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.38 |
| ▸ | CYP3A5 | P20815 | 3/20 | 0.38 |
| ▸ | RORC | P51449 | 5/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | PNMT | P11086 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10645409 | 0.82 | CYP19A1 (0.44) | CYP19A1CYP3A4CYP3A5RORCLMNA | |
| SCHEMBL838605 | 0.78 | CYP19A1 (0.41) | CYP19A1KCNA5CYP3A4CYP3A5RORC | |
| SCHEMBL10732517 | 0.77 | CYP19A1 (0.40) | CYP19A1KCNA5CYP3A4CYP3A5RORC | |
| SCHEMBL10689038 | 0.74 | CYP19A1 (0.46) | CYP19A1KCNA5CYP3A4CYP3A5CYP1A2 | |
| SCHEMBL10727927 | 0.73 | CYP19A1 (0.36) | CYP19A1KCNA5CYP3A4CYP3A5RORC | |
| SCHEMBL10761080 | 0.71 | CYP19A1 (0.45) | CYP19A1CYP3A4CYP3A5RORCLMNA | |
| SCHEMBL9591227 | 0.70 | CYP3A4 (0.44) | CYP19A1KCNA5CYP3A4CYP3A5 | |
| SCHEMBL10732564 | 0.69 | CYP19A1 (0.47) | CYP19A1CYP3A4CYP3A5RORC | |
| SCHEMBL10647840 | 0.69 | CYP19A1 (0.40) | CYP19A1KCNA5CYP3A4CYP3A5RORC | |
| SCHEMBL836825 | 0.68 | CYP3A4 (0.44) | CYP19A1KCNA5CYP3A4CYP3A5 |
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-0137456-A1 | Derivatives of pyridine, pyrazine and pyrimidine and their use as fungicidal agents | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1985-04-17 | — | — | EP | disclosed |