Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | PARP1 | P09874 | 4/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | DAO | P14920 | 3/20 | 0.36 |
| ▸ | CDC25B | P30305 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 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 | 0.91 | CYP3A4 (0.56) | CYP3A4PARP1DAO | |
| SCHEMBL5373725 | 0.82 | CYP3A4 (0.80) | CYP3A4PARP1MAOAMAOB | |
| SCHEMBL5371246 | 0.80 | CYP3A4 (0.48) | CYP3A4PARP1 | |
| SCHEMBL5370322 | 0.80 | CYP3A4 (0.53) | CYP3A4PARP1 | |
| SCHEMBL27967139 | 0.75 | CDC25B (0.45) | CDC25BAKR1B1 | |
| SCHEMBL5373967 | 0.73 | CYP3A4 (0.54) | CYP3A4DAO | |
| SCHEMBL5351260 | 0.73 | AKR1B1 (0.51) | CYP3A4PARP1MAOBDAOAKR1B1 | |
| SCHEMBL5372632 | 0.72 | CYP3A4 (0.53) | CYP3A4 | |
| SCHEMBL5372475 | 0.71 | CYP3A4 (1.00) | CYP3A4PARP1AKR1B1 | |
| SCHEMBL5368514 | 0.71 | CYP3A4 (0.80) | 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 |