Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 11/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.42 |
| ▸ | CYP3A5 | P20815 | 7/20 | 0.42 |
| ▸ | RORC | P51449 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10761080 | 0.89 | CYP19A1 (0.45) | CYP19A1CYP3A4CYP3A5RORCLMNA | |
| SCHEMBL10732564 | 0.87 | CYP19A1 (0.47) | CYP19A1CYP3A4CYP3A5RORC | |
| SCHEMBL10647840 | 0.86 | CYP19A1 (0.40) | CYP19A1CYP3A4CYP3A5RORCLMNA | |
| Ethylene SCHEMBL10733781 | 0.85 | CYP19A1 (0.46) | CYP19A1CYP3A4CYP3A5RORC | |
| SCHEMBL10734542 | 0.85 | CYP19A1 (0.43) | CYP19A1CYP3A4CYP3A5RORCLMNA | |
| SCHEMBL11035012 | 0.82 | CYP19A1 (0.39) | CYP19A1CYP3A4CYP3A5RORCALDH1A1 | |
| SCHEMBL10731446 | 0.82 | CYP19A1 (0.43) | CYP19A1CYP3A4CYP3A5ALDH1A1LMNA | |
| SCHEMBL10731441 | 0.82 | CYP19A1 (0.43) | CYP19A1CYP3A4CYP3A5ALDH1A1LMNA | |
| SCHEMBL10685895 | 0.82 | CYP19A1 (0.49) | CYP19A1CYP3A4CYP3A5RORCLMNA | |
| SCHEMBL10730981 | 0.81 | CYP19A1 (0.48) | CYP19A1CYP3A4CYP3A5RORCLMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-4678790-A | AGRICULTURE HORTICULTURE | HOFFMAN-LA ROCHE INC. (US) | 1987-07-07 | — | — | US | claimed |
| EP-0137456-B1 | DERIVATIVES OF PYRIDINE, PYRAZINE AND PYRIMIDINE AND THEIR USE AS FUNGICIDAL AGENTS | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1988-02-10 | — | — | EP | disclosed |
| US-4678790-A | AGRICULTURE HORTICULTURE | HOFFMAN-LA ROCHE INC. (US) | 1987-07-07 | — | — | US | disclosed |