Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | DAO | P14920 | 6/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | PRNP | P04156 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL5373636 | 0.81 | CYP3A4 (0.56) | CYP3A4PTGS2LMNADAOMAPT | |
| SCHEMBL5374280 | 0.78 | CYP3A4 (0.50) | CYP3A4LMNA | |
| SCHEMBL5382621 | 0.77 | CYP3A4 (0.54) | CYP3A4DAO | |
| SCHEMBL5375840 | 0.73 | CYP3A4 (0.55) | CYP3A4DAO | |
| SCHEMBL5373848 | 0.72 | CYP3A4 (0.54) | CYP3A4 | |
| SCHEMBL5351260 | 0.72 | AKR1B1 (0.51) | CYP3A4LMNADAO | |
| SCHEMBL5381870 | 0.72 | CYP3A4 (0.48) | CYP3A4DAO | |
| SCHEMBL5367220 | 0.71 | CYP3A4 (0.84) | CYP3A4 | |
| SCHEMBL5368836 | 0.71 | CYP3A4 (0.64) | CYP3A4DAOMAPT | |
| SCHEMBL5373933 | 0.68 | CYP3A4 (0.45) | CYP3A4LMNADAOMAPT |
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 |