Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | THRA | P10827 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 6/20 | 0.36 |
| ▸ | SOD1 | P00441 | 1/20 | 0.33 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.32 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL5377018 | 0.90 | THRA (0.44) | CYP3A4CYP2C9CYP2C19THRATHRB | |
| SCHEMBL5373738 | 0.88 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19THRATHRB | |
| SCHEMBL5367059 | 0.87 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19THRATHRB | |
| SCHEMBL5365045 | 0.85 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19THRATHRB | |
| SCHEMBL14570716 | 0.85 | CYP3A4 (0.60) | CYP3A4CYP2C9CYP2C19THRATHRB | |
| SCHEMBL5377753 | 0.83 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19THRATHRB | |
| SCHEMBL5364622 | 0.80 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19THRATHRB | |
| SCHEMBL5368884 | 0.80 | CYP3A4 (0.68) | CYP3A4CYP2C9CYP2C19THRATHRB | |
| SCHEMBL5373847 | 0.78 | THRA (0.44) | CYP3A4CYP2C9CYP2C19THRATHRB | |
| SCHEMBL5368441 | 0.78 | CYP3A4 (0.58) | CYP3A4CYP2C9CYP2C19THRATHRB |
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-7189718-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2007-03-13 | — | — | US | disclosed |
| US-7189718-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2007-03-13 | — | — | US | disclosed |
| US-7189718-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2007-03-13 | — | — | US | disclosed |