Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.35 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.35 |
| ▸ | THRA | P10827 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.33 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.33 |
| ▸ | LPAR5 | Q9H1C0 | 1/20 | 0.33 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.32 |
| ▸ | FDFT1 | P37268 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5377568 | 0.89 | CYP3A4 (0.47) | CYP3A4KDRDAOSCN8ASCN10A | |
| SCHEMBL5374482 | 0.88 | CYP3A4 (0.61) | CYP3A4AKR1B1KDR | |
| SCHEMBL5374946 | 0.86 | CYP3A4 (0.42) | CYP3A4NTRK1AKR1B1KDRDAO | |
| SCHEMBL5373732 | 0.86 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5375017 | 0.85 | CYP3A4 (0.51) | CYP3A4AKR1B1DAOTHRATHRB | |
| SCHEMBL5385101 | 0.84 | DAO (0.38) | CYP3A4DAOENPP1MGLLCYP2C9 | |
| SCHEMBL5368699 | 0.83 | AR (0.39) | CYP3A4AKR1B1 | |
| SCHEMBL5370985 | 0.82 | CYP3A4 (0.48) | CYP3A4DAOTHRATHRBCYP2C9 | |
| SCHEMBL5368917 | 0.82 | CYP3A4 (0.48) | CYP3A4NTRK1AKR1B1DAOTHRA | |
| SCHEMBL4367667 | 0.82 | CYP3A4 (0.53) | CYP3A4AKR1B1DAOTHRATHRB |
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 |