Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.84 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | THRA | P10827 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL5370940 | 0.87 | CYP3A4 (0.78) | CYP3A4AKR1B1KMT2ATHRATHRB | |
| SCHEMBL5373808 | 0.85 | CYP3A4 (0.69) | CYP3A4AKR1B1THRATHRB | |
| SCHEMBL5372498 | 0.83 | CYP3A4 (0.83) | CYP3A4AKR1B1THRATHRB | |
| SCHEMBL5368912 | 0.83 | CYP3A4 (0.83) | CYP3A4AKR1B1THRATHRB | |
| SCHEMBL5374414 | 0.81 | CYP3A4 (0.67) | CYP3A4AKR1B1 | |
| SCHEMBL5368824 | 0.81 | CYP3A4 (0.70) | CYP3A4AKR1B1 | |
| SCHEMBL5370463 | 0.79 | CYP3A4 (0.63) | CYP3A4 | |
| SCHEMBL5377164 | 0.78 | CYP3A4 (0.80) | CYP3A4AKR1B1THRATHRB | |
| SCHEMBL5368514 | 0.78 | CYP3A4 (0.80) | CYP3A4KMT2ATHRATHRB | |
| SCHEMBL5385893 | 0.77 | CYP3A4 (0.58) | CYP3A4AKR1B1KMT2ATHRATHRB |
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 |