Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 11/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.41 |
| ▸ | CYP3A5 | P20815 | 7/20 | 0.41 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10732407 | 0.91 | CYP19A1 (0.44) | CYP19A1CYP3A4CYP3A5RORCADRA2C | |
| SCHEMBL10727311 | 0.85 | CYP19A1 (0.41) | CYP19A1CYP3A4CYP3A5RORC | |
| SCHEMBL10733637 | 0.85 | CYP3A4 (0.42) | CYP19A1CYP3A4CYP3A5RORCADRA2C | |
| SCHEMBL10730981 | 0.83 | CYP19A1 (0.48) | CYP19A1CYP3A4CYP3A5RORC | |
| SCHEMBL837436 | 0.83 | CYP19A1 (0.44) | CYP19A1CYP3A4CYP3A5 | |
| SCHEMBL10734342 | 0.83 | CYP3A4 (0.42) | CYP19A1CYP3A4CYP3A5 | |
| SCHEMBL10731018 | 0.83 | CYP19A1 (0.43) | CYP19A1CYP3A4CYP3A5 | |
| SCHEMBL9592344 | 0.82 | CYP19A1 (0.49) | CYP19A1CYP3A4CYP3A5 | |
| SCHEMBL10809498 | 0.81 | CYP19A1 (0.43) | CYP19A1CYP3A4CYP3A5RORCADRA2C | |
| SCHEMBL10730680 | 0.81 | CYP19A1 (0.43) | CYP19A1CYP3A4CYP3A5 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4699652-A | Fungicidal pyridine derivatives for use in agriculture | HOFFMANN-LA ROCHE INC. (US) | 1987-10-13 | — | — | US | disclosed |
| EP-0209854-A2 | Pyridine derivatives and their use as fungicidal agents | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1987-01-28 | — | — | EP | disclosed |