Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | THRA | P10827 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 2/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | TTR | P02766 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | PPARD | Q03181 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| SCHEMBL5421210 | 0.88 | CYP3A4 (0.48) | CYP3A4THRATHRBSLC6A4KCNH2 | |
| SCHEMBL5370245 | 0.88 | CYP3A4 (0.63) | CYP3A4THRATHRBDAOSLC6A2 | |
| SCHEMBL5370985 | 0.87 | CYP3A4 (0.48) | CYP3A4THRATHRBDAOTTR | |
| SCHEMBL5365424 | 0.86 | CYP3A4 (0.48) | CYP3A4TTRCYP2C9TSHRCYP2C19 | |
| SCHEMBL5374344 | 0.85 | CYP3A4 (0.43) | CYP3A4THRATHRBCYP2C9TSHR | |
| SCHEMBL5368917 | 0.84 | CYP3A4 (0.48) | CYP3A4THRATHRBDAOTTR | |
| SCHEMBL4367667 | 0.84 | CYP3A4 (0.53) | CYP3A4THRATHRBDAOTTR | |
| SCHEMBL5375017 | 0.84 | CYP3A4 (0.51) | CYP3A4THRATHRBDAOTTR | |
| SCHEMBL5366909 | 0.81 | CYP3A4 (0.46) | CYP3A4THRATHRBDAOCYP2C9 | |
| SCHEMBL14570708 | 0.80 | KCNH2 (0.45) | CYP3A4THRATHRBCYP2C9CYP2C19 |
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 |