Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 12/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | NR1H3 | Q13133 | 8/20 | 0.42 |
| ▸ | RORC | P51449 | 4/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4162283 | 0.93 | NR1H2 (0.41) | NR1H2CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4167137 | 0.90 | NR1H2 (0.46) | NR1H2NR1H3 | |
| SCHEMBL4165443 | 0.80 | NR1H2 (0.44) | NR1H2CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4166168 | 0.80 | NR1H2 (0.48) | NR1H2NR1H3RORC | |
| SCHEMBL27765402 | 0.79 | NR1H2 (0.40) | NR1H2NR1H3RORC | |
| SCHEMBL27765403 | 0.79 | NR1H2 (0.40) | NR1H2CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28780848 | 0.75 | NR1H2 (0.39) | NR1H2NR1H3 | |
| SCHEMBL4165449 | 0.75 | NR1H2 (0.44) | NR1H2NR1H3 | |
| SCHEMBL4162285 | 0.74 | NR1H2 (0.44) | NR1H2CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL27786940 | 0.73 | NR1H2 (0.42) | NR1H2NR1H3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2074098-A2 | QUINOLINE COMPOUNDS | Wyeth (US) | 2009-07-01 | — | — | EP | disclosed |
| WO-2008049047-A2 | QUINOLINE COMPOUNDS | WYETH (US) | 2008-04-24 | — | — | WO | disclosed |