Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL22323224 | 0.98 | AOC3 (0.42) | AOC3CYP1A2CYP2C19ALDH1A1CYP2C9 | |
| SCHEMBL28150403 | 0.80 | AOC3 (0.47) | AOC3CYP1A2CYP2C19ALDH1A1CYP2C9 | |
| SCHEMBL7678226 | 0.78 | ALDH1A1 (0.46) | AOC3CYP1A2CYP2C19ALDH1A1CYP2C9 | |
| SCHEMBL28300884 | 0.78 | ALDH1A1 (0.46) | AOC3CYP1A2CYP2C19ALDH1A1CYP2C9 | |
| SCHEMBL19801164 | 0.77 | NISCH (0.38) | CYP2C19ALDH1A1CYP2C9OPRM1OPRD1 | |
| SCHEMBL614836 | 0.75 | CYP2C9 (0.43) | AOC3CYP1A2CYP2C19ALDH1A1CYP2C9 | |
| SCHEMBL28796711 | 0.75 | AOC3 (0.44) | AOC3CYP1A2CYP2C19ALDH1A1CYP2C9 | |
| SCHEMBL4429231 | 0.74 | CES2 (0.41) | OPRM1 | |
| SCHEMBL7279503 | 0.74 | AOC3 (0.57) | AOC3CYP1A2CYP2C19ALDH1A1CYP2C9 | |
| SCHEMBL3825964 | 0.72 | CHRNB2 (0.46) | ALDH1A1OPRM1OPRD1OPRK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1912648-A2 | QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-04-23 | — | — | EP | disclosed |
| WO-2007014941-A2 | QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-02-08 | — | — | WO | disclosed |
| EP-1527050-A1 | QUINOLINE DERIVATIVES AND THEIR USE AS MYCOBACTERIAL INHIBITORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-05-04 | — | — | EP | disclosed |
| WO-2004011436-A1 | QUINOLINE DERIVATIVES AND THEIR USE AS MYCOBACTERIAL INHIBITORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2004-02-05 | — | — | WO | disclosed |