Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.34 |
| ▸ | F10 | P00742 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.34 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | PDE5A | O76074 | 1/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.32 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.32 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1342509 | 0.93 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP2C19RORCGPR35 | |
| SCHEMBL13983342 | 0.90 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP2C19RORCGPR35 | |
| SCHEMBL12130348 | 0.90 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2C19RORCGPR35 | |
| SCHEMBL1344905 | 0.90 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2C19RORCGPR35 | |
| SCHEMBL12132023 | 0.90 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19RORCF10 | |
| SCHEMBL16175564 | 0.89 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19RORCKCNH2 | |
| SCHEMBL1343942 | 0.88 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19RORCGPR35 | |
| SCHEMBL1341700 | 0.87 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19RORCGPR35 | |
| SCHEMBL5373280 | 0.87 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19RORCGPR35 | |
| SCHEMBL1344314 | 0.87 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19RORCGPR35 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8063028-B2 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC (US) | 2011-11-22 | — | — | US | disclosed |
| US-8063064-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2011-11-22 | — | — | US | disclosed |
| EP-2057125-B1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2011-03-30 | — | — | EP | disclosed |