Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.83 |
| ▸ | THRA | P10827 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 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 | |
|---|---|---|---|---|
| SCHEMBL5368514 | 0.92 | CYP3A4 (0.80) | CYP3A4THRATHRB | |
| SCHEMBL5372475 | 0.91 | CYP3A4 (1.00) | CYP3A4AKR1B1PARP1 | |
| SCHEMBL5373725 | 0.87 | CYP3A4 (0.80) | CYP3A4THRATHRBPARP1 | |
| SCHEMBL5377033 | 0.87 | CYP3A4 (0.76) | CYP3A4THRATHRBAKR1B1 | |
| SCHEMBL5368780 | 0.86 | CYP3A4 (0.74) | CYP3A4THRATHRBAKR1B1PARP1 | |
| SCHEMBL5365060 | 0.85 | CYP3A4 (0.71) | CYP3A4THRATHRBAKR1B1 | |
| SCHEMBL5375137 | 0.83 | CYP3A4 (0.67) | CYP3A4THRATHRB | |
| SCHEMBL5369076 | 0.83 | CYP3A4 (0.67) | CYP3A4THRATHRBPARP1 | |
| SCHEMBL5367220 | 0.83 | CYP3A4 (0.84) | CYP3A4THRATHRBAKR1B1 | |
| SCHEMBL5377729 | 0.82 | CYP3A4 (0.72) | CYP3A4THRATHRBAKR1B1PARP1 |
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 |