Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 16/20 | 0.44 |
| ▸ | AOC2 | O75106 | 3/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL21865009 | 0.87 | HRH3 (0.44) | AOC3AOC2CNR2 | |
| SCHEMBL21864975 | 0.86 | SCN9A (0.54) | AOC3 | |
| SCHEMBL21864846 | 0.85 | SCN9A (0.39) | CNR2 | |
| SCHEMBL21864985 | 0.84 | AOC3 (0.47) | AOC3AOC2 | |
| SCHEMBL21864849 | 0.82 | AOC3 (0.44) | AOC3AOC2 | |
| SCHEMBL21864842 | 0.82 | AOC3 (0.44) | AOC3AOC2 | |
| SCHEMBL21865483 | 0.81 | HRH3 (0.58) | AOC3AOC2 | |
| SCHEMBL21864983 | 0.80 | SCN7A (0.56) | AOC3 | |
| SCHEMBL21865488 | 0.80 | HRH3 (0.60) | AOC3AOC2 | |
| SCHEMBL21864838 | 0.79 | SCN9A (0.46) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020063854-A1 | QUINOLINE-BASED DERIVATIVES AS VAP-1 INHIBITORS | 南京明德新药研发有限公司 | 2020-04-02 | — | — | WO | disclosed |