Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.43 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | EPAS1 | Q99814 | 2/20 | 0.31 |
| ▸ | VEGFA | P15692 | 1/20 | 0.30 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11904807 | 0.95 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19KCNH2HTR2A | |
| SCHEMBL11904765 | 0.92 | CYP3A4 (0.63) | CYP3A4CYP2C9CYP2C19KCNH2SLC22A12 | |
| SCHEMBL11904764 | 0.90 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2C19KCNH2EPAS1 | |
| SCHEMBL11903899 | 0.88 | CYP3A4 (0.59) | CYP3A4CYP2C9CYP2C19KCNH2SLC22A12 | |
| SCHEMBL11904809 | 0.87 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19KCNH2HTR2A | |
| SCHEMBL1654901 | 0.85 | CYP3A4 (0.55) | CYP3A4CYP2C9CYP2C19KCNH2 | |
| SCHEMBL5915079 | 0.85 | CYP3A4 (0.55) | CYP3A4CYP2C9CYP2C19KCNH2 | |
| SCHEMBL4808573 | 0.83 | CYP3A4 (0.84) | CYP3A4CYP2C9CYP2C19KCNH2SLC22A12 | |
| SCHEMBL11904215 | 0.83 | CYP3A4 (0.52) | CYP3A4CYP2C9CYP2C19KCNH2HTR2A | |
| SCHEMBL2345051 | 0.82 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP2C19KCNH2 |
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 |