Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.51 |
| ▸ | DAO | P14920 | 2/20 | 0.39 |
| ▸ | PARP1 | P09874 | 3/20 | 0.39 |
| ▸ | THRA | P10827 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.34 |
| ▸ | TTR | P02766 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5377723 | 0.89 | CYP3A4 (0.66) | CYP3A4DAOPARP1AKR1B1CYP2C9 | |
| SCHEMBL5377473 | 0.88 | CYP3A4 (0.52) | CYP3A4PARP1THRATHRBAKR1B1 | |
| SCHEMBL5370279 | 0.87 | CYP3A4 (0.53) | CYP3A4DAOPARP1THRATHRB | |
| SCHEMBL5365456 | 0.86 | CYP3A4 (0.50) | CYP3A4PARP1AKR1B1 | |
| SCHEMBL5368917 | 0.85 | CYP3A4 (0.48) | CYP3A4DAOTHRATHRBAKR1B1 | |
| SCHEMBL4367667 | 0.85 | CYP3A4 (0.53) | CYP3A4DAOTHRATHRBAKR1B1 | |
| SCHEMBL5370985 | 0.85 | CYP3A4 (0.48) | CYP3A4DAOPARP1THRATHRB | |
| SCHEMBL5374410 | 0.85 | CYP3A4 (0.49) | CYP3A4PARP1 | |
| SCHEMBL5366909 | 0.85 | CYP3A4 (0.46) | CYP3A4DAOTHRATHRBAKR1B1 | |
| SCHEMBL5377719 | 0.85 | CYP3A4 (0.46) | CYP3A4PARP1AKR1B1 |
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 |