Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 3/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | FABP4 | P15090 | 1/20 | 0.35 |
| ▸ | THRA | P10827 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.35 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.34 |
| ▸ | SCN8A | Q9UQD0 | 2/20 | 0.34 |
| ▸ | SCN10A | Q9Y5Y9 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | BRAF | P15056 | 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 | |
|---|---|---|---|---|
| SCHEMBL5366909 | 0.89 | CYP3A4 (0.46) | CYP3A4KDRTHRATHRBEGLN1 | |
| SCHEMBL5374482 | 0.89 | CYP3A4 (0.61) | CYP3A4KDRARHTR2ASLC6A4 | |
| SCHEMBL5373613 | 0.85 | CYP3A4 (0.51) | CYP3A4KDRHTR2ASLC6A4KCNH2 | |
| SCHEMBL5368519 | 0.84 | CYP3A4 (0.41) | CYP3A4ARHTR2ASLC6A4KCNH2 | |
| SCHEMBL5374946 | 0.84 | CYP3A4 (0.42) | CYP3A4KDRARSCN8ASCN10A | |
| SCHEMBL5365171 | 0.83 | CYP3A4 (0.49) | CYP3A4HTR2ASLC6A4KCNH2FABP4 | |
| SCHEMBL5377670 | 0.82 | CYP3A4 (0.48) | CYP3A4HTR2ASLC6A4KCNH2CYP2C19 | |
| SCHEMBL5421210 | 0.82 | CYP3A4 (0.48) | CYP3A4HTR2ASLC6A4KCNH2FABP4 | |
| SCHEMBL5373732 | 0.80 | CYP3A4 (0.45) | CYP3A4ARKCNH2CYP2C19CYP2C9 | |
| SCHEMBL5375034 | 0.79 | CYP3A4 (0.37) | CYP3A4KDRARHTR2AKCNH2 |
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 |