Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | EPAS1 | Q99814 | 2/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL1653338 | 0.91 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19EPAS1RORC | |
| SCHEMBL1654871 | 0.91 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19EPAS1KCNH2 | |
| SCHEMBL11904806 | 0.91 | CYP3A4 (0.58) | CYP3A4CYP2C9CYP2C19EPAS1RORC | |
| SCHEMBL11904805 | 0.88 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19EPAS1RORC | |
| SCHEMBL1653573 | 0.88 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2C19EPAS1 | |
| SCHEMBL5179004 | 0.83 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19EPAS1RORC | |
| SCHEMBL4801622 | 0.83 | CYP3A4 (0.77) | CYP3A4CYP2C9CYP2C19EPAS1RORC | |
| SCHEMBL11904782 | 0.83 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19EPAS1RORC | |
| SCHEMBL11904215 | 0.83 | CYP3A4 (0.52) | CYP3A4CYP2C9CYP2C19EPAS1RORC | |
| SCHEMBL5178759 | 0.82 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19EPAS1 |
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 7 patents. 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 |
| JP-4675959-B2 | — | — | 2011-04-27 | — | — | JP | claimed |
| EP-1773790-A1 | BENZYLTRIAZOLONE COMPOUNDS AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2007-04-18 | — | — | EP | claimed |
| WO-2006010545-A1 | BENZYLTRIAZOLONE COMPOUNDS AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-02-02 | — | — | WO | claimed |
| EP-1773790-B1 | BENZYLTRIAZOLONE COMPOUNDS AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2012-08-15 | — | — | EP | disclosed |
| EP-1773790-A1 | BENZYLTRIAZOLONE COMPOUNDS AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2007-04-18 | — | — | EP | disclosed |
| WO-2006010545-A1 | BENZYLTRIAZOLONE COMPOUNDS AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-02-02 | — | — | WO | disclosed |