Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 8/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.37 |
| ▸ | CYP3A5 | P20815 | 7/20 | 0.37 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10727531 | 0.85 | CYP19A1 (0.39) | CYP19A1CYP3A4CYP3A5KCNA5HDAC8 | |
| SCHEMBL9564746 | 0.76 | CYP19A1 (0.42) | CYP19A1CYP3A4CYP3A5KCNA5 | |
| SCHEMBL10472521 | 0.75 | CYP19A1 (0.47) | CYP19A1CYP3A4CYP3A5KCNA5HDAC8 | |
| SCHEMBL10726684 | 0.75 | CYP19A1 (0.47) | CYP19A1CYP3A4CYP3A5KCNA5HDAC8 | |
| SCHEMBL10731124 | 0.74 | CYP19A1 (0.42) | CYP19A1CYP3A4CYP3A5KCNA5 | |
| SCHEMBL10727392 | 0.74 | CYP19A1 (0.45) | CYP19A1CYP3A4CYP3A5KCNA5HDAC8 | |
| SCHEMBL10968109 | 0.74 | CYP19A1 (0.50) | CYP19A1CYP3A4CYP3A5KCNA5 | |
| SCHEMBL10731194 | 0.73 | CYP19A1 (0.44) | CYP19A1CYP3A4CYP3A5KCNA5HDAC8 | |
| SCHEMBL10730734 | 0.72 | CYP19A1 (0.38) | CYP19A1CYP3A4CYP3A5KCNA5RORC | |
| Cyclopropane SCHEMBL10727636 | 0.72 | CYP19A1 (0.43) | CYP19A1CYP3A4CYP3A5KCNA5HDAC8 |
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 |