Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.39 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | EPAS1 | Q99814 | 4/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.32 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.32 |
| ▸ | BRAF | P15056 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL11904765 | 0.95 | CYP3A4 (0.63) | CYP3A4CYP2C9CYP2C19KCNH2BRD9 | |
| SCHEMBL11904766 | 0.92 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP2C19KCNH2BRD9 | |
| SCHEMBL11904807 | 0.91 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19KCNH2HTR2A | |
| SCHEMBL11904215 | 0.89 | CYP3A4 (0.52) | CYP3A4CYP2C9CYP2C19KCNH2HTR2A | |
| SCHEMBL11904762 | 0.87 | CYP3A4 (0.60) | CYP3A4CYP2C9CYP2C19KCNH2BRD9 | |
| SCHEMBL5180307 | 0.86 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2C19KCNH2RORC | |
| SCHEMBL11903899 | 0.85 | CYP3A4 (0.59) | CYP3A4CYP2C9CYP2C19KCNH2HTR2A | |
| SCHEMBL4800446 | 0.85 | CYP3A4 (0.76) | CYP3A4CYP2C9CYP2C19KCNH2HTR2A | |
| SCHEMBL11904764 | 0.84 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2C19KCNH2EPAS1 | |
| SCHEMBL2347420 | 0.83 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19KCNH2RORC |
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 |