Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | MAOB | P27338 | 11/20 | 0.50 |
| ▸ | MAOA | P21397 | 6/20 | 0.50 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | RXRA | P19793 | 1/20 | 0.44 |
| ▸ | RXRB | P28702 | 1/20 | 0.44 |
| ▸ | RXRG | P48443 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5368734 | 0.91 | CYP3A4 (0.48) | CYP3A4MAOBMAOANR4A2RXRA | |
| SCHEMBL5374289 | 0.86 | CYP3A4 (0.64) | CYP3A4 | |
| SCHEMBL5386101 | 0.84 | NR4A2 (0.47) | CYP3A4MAOBMAOANR4A2 | |
| SCHEMBL5367047 | 0.81 | CYP3A4 (0.54) | CYP3A4 | |
| SCHEMBL5377482 | 0.81 | CYP3A4 (0.57) | CYP3A4 | |
| SCHEMBL28778796 | 0.78 | ALPL (0.49) | CYP3A4 | |
| SCHEMBL5377193 | 0.77 | CYP3A4 (0.50) | CYP3A4 | |
| SCHEMBL5377053 | 0.77 | CYP3A4 (0.51) | CYP3A4 | |
| SCHEMBL5365181 | 0.77 | CYP3A4 (0.67) | CYP3A4 | |
| SCHEMBL5368812 | 0.76 | CYP3A4 (0.55) | 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 |