Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.45 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.39 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | THRA | P10827 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5366793 | 0.88 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP2C19MMP13 | |
| SCHEMBL5377193 | 0.84 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP2C19PARP1 | |
| SCHEMBL5377482 | 0.82 | CYP3A4 (0.57) | CYP3A4PRMT5WDR77THRATHRB | |
| SCHEMBL5377805 | 0.81 | CYP3A4 (0.45) | CYP3A4KCNH2CYP2C9CYP2C19CYP11B1 | |
| SCHEMBL14570721 | 0.81 | CYP3A4 (0.41) | CYP3A4KCNH2CYP2C9CYP2C19THRA | |
| SCHEMBL5377579 | 0.81 | CYP3A4 (0.52) | CYP3A4PRMT5WDR77KCNH2CYP2C9 | |
| SCHEMBL5374410 | 0.81 | CYP3A4 (0.49) | CYP3A4PRMT5WDR77PARP1 | |
| SCHEMBL5370328 | 0.81 | CYP3A4 (0.47) | CYP3A4PRMT5WDR77THRATHRB | |
| SCHEMBL5375295 | 0.81 | CYP3A4 (0.47) | CYP3A4PRMT5WDR77CYP2C9CYP2C19 | |
| SCHEMBL5369070 | 0.81 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19PARP1 |
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 2 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 |