Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN7A | Q01118 | 2/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.56 |
| ▸ | SCN9A | Q15858 | 8/20 | 0.55 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.51 |
| ▸ | AOC3 | Q16853 | 8/20 | 0.50 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL21865483 | 0.91 | HRH3 (0.58) | SCN7AKCNH2SCN9AHRH3AOC3 | |
| SCHEMBL21865488 | 0.90 | HRH3 (0.60) | SCN7AKCNH2SCN9AHRH3AOC3 | |
| SCHEMBL21864975 | 0.89 | SCN9A (0.54) | SCN9AHRH3AOC3SCN10A | |
| SCHEMBL21865087 | 0.87 | HRH3 (0.58) | SCN9AHRH3AOC3 | |
| SCHEMBL21865090 | 0.85 | HRH3 (0.51) | SCN9AHRH3 | |
| SCHEMBL21865501 | 0.83 | SCN9A (0.50) | SCN7AKCNH2SCN9AHRH3SCN10A | |
| SCHEMBL21864838 | 0.83 | SCN9A (0.46) | SCN9AHRH3SCN10A | |
| SCHEMBL21864939 | 0.82 | SCN9A (0.45) | SCN9AHRH3SCN10A | |
| SCHEMBL21865009 | 0.82 | HRH3 (0.44) | SCN9AHRH3AOC3 | |
| SCHEMBL21864822 | 0.82 | AOC3 (0.51) | AOC3 |
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 |