Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.58 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.52 |
| ▸ | SCN9A | Q15858 | 8/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | AOC2 | O75106 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL21865090 | 0.91 | HRH3 (0.51) | HRH3SCN9AMAOAAOC2 | |
| SCHEMBL21865483 | 0.88 | HRH3 (0.58) | HRH3AOC3SCN9AMAOBAOC2 | |
| SCHEMBL21864983 | 0.87 | SCN7A (0.56) | HRH3AOC3SCN9A | |
| SCHEMBL21865488 | 0.87 | HRH3 (0.60) | HRH3AOC3SCN9AMAOBAOC2 | |
| SCHEMBL21864975 | 0.85 | SCN9A (0.54) | HRH3AOC3SCN9A | |
| SCHEMBL21864939 | 0.83 | SCN9A (0.45) | HRH3SCN9AMAOA | |
| SCHEMBL21865499 | 0.82 | HRH3 (0.46) | HRH3AOC3SCN9AMAOAMAOB | |
| SCHEMBL21864856 | 0.82 | HRH3 (0.46) | HRH3AOC3SCN9AMAOAMAOB | |
| SCHEMBL21865472 | 0.82 | HRH3 (0.46) | HRH3AOC3SCN9AMAOAMAOB | |
| SCHEMBL21864838 | 0.82 | SCN9A (0.46) | HRH3SCN9AMAOA |
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 |