Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 10/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.36 |
| ▸ | CYP3A5 | P20815 | 7/20 | 0.36 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
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 | 0.78 | CYP19A1 (0.39) | CYP19A1CYP3A4CYP3A5KCNA5 | |
| SCHEMBL10728497 | 0.76 | CYP19A1 (0.40) | CYP19A1CYP3A4CYP3A5RORC | |
| SCHEMBL10683122 | 0.76 | CYP19A1 (0.46) | CYP19A1CYP3A4CYP3A5RORC | |
| SCHEMBL10685895 | 0.74 | CYP19A1 (0.49) | CYP19A1CYP3A4CYP3A5RORC | |
| SCHEMBL10727604 | 0.74 | CYP19A1 (0.46) | CYP19A1CYP3A4CYP3A5RORC | |
| SCHEMBL10730981 | 0.73 | CYP19A1 (0.48) | CYP19A1CYP3A4CYP3A5RORC | |
| SCHEMBL10809498 | 0.73 | CYP19A1 (0.43) | CYP19A1CYP3A4CYP3A5RORC | |
| SCHEMBL10758681 | 0.72 | CYP19A1 (0.52) | CYP19A1CYP3A4CYP3A5KCNA5 | |
| SCHEMBL10728974 | 0.72 | CYP19A1 (0.42) | CYP19A1CYP3A4CYP3A5 | |
| SCHEMBL10728876 | 0.72 | CYP3A4 (0.43) | CYP19A1CYP3A4CYP3A5RORCIDO1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4699652-A | Fungicidal pyridine derivatives for use in agriculture | HOFFMANN-LA ROCHE INC. (US) | 1987-10-13 | — | — | US | disclosed |