Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.60 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1542862 | 0.93 | CYP3A4 (0.63) | CYP3A4BRD4 | |
| SCHEMBL2128722 | 0.89 | CYP3A4 (0.63) | CYP3A4 | |
| SCHEMBL2128721 | 0.89 | CYP3A4 (0.63) | CYP3A4 | |
| SCHEMBL1542609 | 0.89 | CYP3A4 (0.75) | CYP3A4PGR | |
| SCHEMBL1542606 | 0.89 | CYP3A4 (0.75) | CYP3A4PGR | |
| SCHEMBL1542510 | 0.89 | CYP3A4 (0.48) | CYP3A4CYP17A1BRD4 | |
| SCHEMBL2127068 | 0.88 | CYP3A4 (0.58) | CYP3A4 | |
| SCHEMBL1542808 | 0.88 | CYP3A4 (0.58) | CYP3A4 | |
| SCHEMBL1542670 | 0.88 | CYP3A4 (0.58) | CYP3A4 | |
| SCHEMBL1542311 | 0.86 | CYP3A4 (0.55) | CYP3A4BRD4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2307372-B1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2012-04-25 | — | — | EP | claimed |