Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.80 |
| ▸ | KCNA3 | P22001 | 2/20 | 0.36 |
| ▸ | THRA | P10827 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 2/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | CFD | P00746 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | TTR | P02766 | 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 | |
|---|---|---|---|---|
| SCHEMBL5377164 | 0.89 | CYP3A4 (0.80) | CYP3A4THRATHRBAKR1B1 | |
| SCHEMBL5374982 | 0.89 | CYP3A4 (1.00) | CYP3A4THRATHRBAKR1B1 | |
| SCHEMBL5372498 | 0.87 | CYP3A4 (0.83) | CYP3A4THRATHRBAKR1B1 | |
| SCHEMBL5372604 | 0.87 | CYP3A4 (0.71) | CYP3A4THRATHRB | |
| SCHEMBL5371235 | 0.87 | CYP3A4 (0.71) | CYP3A4THRATHRBDAO | |
| SCHEMBL5375849 | 0.87 | CYP3A4 (0.67) | CYP3A4 | |
| SCHEMBL5368948 | 0.86 | CYP3A4 (0.75) | CYP3A4 | |
| SCHEMBL5385611 | 0.83 | CYP3A4 (0.62) | CYP3A4 | |
| SCHEMBL5376979 | 0.82 | CYP3A4 (0.61) | CYP3A4KCNA3 | |
| SCHEMBL5370940 | 0.81 | CYP3A4 (0.78) | CYP3A4THRATHRBDAOCFD |
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 |