Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PDE5A | O76074 | 6/20 | 0.32 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.31 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.31 |
| ▸ | NTRK1 | P04629 | 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 | |
|---|---|---|---|---|
| SCHEMBL1344351 | 0.90 | CYP3A4 (0.53) | CYP3A4KCNH2CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL1350197 | 0.90 | CYP3A4 (0.52) | CYP3A4KCNH2CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL1344586 | 0.88 | CYP3A4 (0.49) | CYP3A4KCNH2CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL1344333 | 0.87 | CYP3A4 (0.48) | CYP3A4KCNH2CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL1341414 | 0.86 | CYP3A4 (0.50) | CYP3A4KCNH2CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL1343511 | 0.85 | CYP3A4 (0.47) | CYP3A4KCNH2CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL1350118 | 0.85 | CYP3A4 (0.52) | CYP3A4KCNH2CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL1344603 | 0.83 | KCNH2 (0.47) | CYP3A4KCNH2CYP2C9CYP2C19 | |
| SCHEMBL1344607 | 0.83 | CYP3A4 (0.53) | CYP3A4KCNH2CYP2C9CYP2C19 | |
| SCHEMBL4554159 | 0.82 | KCNH2 (0.45) | CYP3A4KCNH2CYP2C9CYP2C19CYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2057125-B1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2011-03-30 | — | — | EP | claimed |
| EP-2057125-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F. Hoffmann-Roche AG (CH) | 2009-05-13 | — | — | EP | claimed |
| WO-2008019968-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-02-21 | — | — | WO | claimed |
| EP-2057125-B1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2011-03-30 | — | — | EP | disclosed |