Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | BRD4 | O60885 | 3/20 | 0.32 |
| ▸ | EP300 | Q09472 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1542526 | 0.81 | CYP3A4 (0.47) | CYP3A4BRD4EP300 | |
| SCHEMBL2127134 | 0.75 | CYP3A4 (0.48) | CYP3A4BRD4EP300 | |
| SCHEMBL2127133 | 0.75 | CYP3A4 (0.48) | CYP3A4BRD4EP300 | |
| SCHEMBL1542456 | 0.73 | CYP3A4 (0.46) | CYP3A4BRD4EP300 | |
| SCHEMBL1542324 | 0.71 | CYP3A4 (0.62) | CYP3A4EP300 | |
| SCHEMBL1542584 | 0.69 | CYP3A4 (0.62) | CYP3A4BRD4EP300 | |
| SCHEMBL2127415 | 0.69 | CYP3A4 (0.62) | CYP3A4BRD4EP300 | |
| SCHEMBL1542618 | 0.69 | CYP3A4 (0.41) | CYP3A4BRD4EP300 | |
| SCHEMBL2128063 | 0.68 | CYP3A4 (0.47) | CYP3A4BRD4EP300 | |
| SCHEMBL2128070 | 0.68 | CYP3A4 (0.47) | CYP3A4BRD4EP300 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2307372-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2011-04-13 | — | — | EP | claimed |
| WO-2010010017-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-01-28 | — | — | WO | claimed |