Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.63 |
| ▸ | CNR2 | P34972 | 9/20 | 0.40 |
| ▸ | GPR55 | Q9Y2T6 | 4/20 | 0.40 |
| ▸ | GPR18 | Q14330 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 2/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5374414 | 0.85 | CYP3A4 (0.67) | CYP3A4AR | |
| SCHEMBL5370940 | 0.84 | CYP3A4 (0.78) | CYP3A4CNR2GPR55 | |
| SCHEMBL5367220 | 0.79 | CYP3A4 (0.84) | CYP3A4 | |
| SCHEMBL7276901 | 0.79 | AR (0.55) | CNR2GPR55ARKDM1AGAA | |
| SCHEMBL5368824 | 0.78 | CYP3A4 (0.70) | CYP3A4AR | |
| SCHEMBL5373808 | 0.78 | CYP3A4 (0.69) | CYP3A4 | |
| SCHEMBL5370307 | 0.77 | CYP3A4 (0.80) | CYP3A4 | |
| SCHEMBL5385611 | 0.75 | CYP3A4 (0.62) | CYP3A4 | |
| SCHEMBL5376979 | 0.74 | CYP3A4 (0.61) | CYP3A4CNR2 | |
| SCHEMBL5372604 | 0.73 | CYP3A4 (0.71) | CYP3A4 |
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 |