Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | RORC | P51449 | 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 | |
|---|---|---|---|---|
| SCHEMBL11904805 | 0.92 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19EPAS1KCNH2 | |
| SCHEMBL11904782 | 0.92 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19EPAS1KCNH2 | |
| SCHEMBL11904683 | 0.91 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19EPAS1KCNH2 | |
| SCHEMBL11904764 | 0.91 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2C19EPAS1KCNH2 | |
| SCHEMBL5179004 | 0.85 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19EPAS1KCNH2 | |
| SCHEMBL11904806 | 0.84 | CYP3A4 (0.58) | CYP3A4CYP2C9CYP2C19EPAS1KCNH2 | |
| SCHEMBL11904766 | 0.83 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP2C19EPAS1KCNH2 | |
| SCHEMBL11904686 | 0.83 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19EPAS1KCNH2 | |
| SCHEMBL11904807 | 0.83 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19EPAS1KCNH2 | |
| SCHEMBL2345030 | 0.82 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19EPAS1RORC |
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-1773790-B1 | BENZYLTRIAZOLONE COMPOUNDS AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2012-08-15 | — | — | EP | claimed |