Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.60 |
| ▸ | SCN9A | Q15858 | 10/20 | 0.53 |
| ▸ | SCN7A | Q01118 | 5/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.52 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.52 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.52 |
| ▸ | AOC2 | O75106 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | AOC3 | Q16853 | 2/20 | 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 | 0.99 | HRH3 (0.58) | HRH3SCN9ASCN7AKCNH2SCN5A | |
| SCHEMBL21864983 | 0.90 | SCN7A (0.56) | HRH3SCN9ASCN7AKCNH2SCN10A | |
| SCHEMBL21864975 | 0.90 | SCN9A (0.54) | HRH3SCN9ASCN10AAOC3 | |
| SCHEMBL21865000 | 0.87 | AOC2 (0.50) | HRH3AOC2MAOBAOC3 | |
| SCHEMBL21865087 | 0.87 | HRH3 (0.58) | HRH3SCN9AAOC2MAOBAOC3 | |
| SCHEMBL21864840 | 0.86 | AOC2 (0.51) | HRH3AOC2MAOBAOC3 | |
| SCHEMBL21865090 | 0.85 | HRH3 (0.51) | HRH3SCN9AAOC2 | |
| SCHEMBL21864838 | 0.85 | SCN9A (0.46) | HRH3SCN9ASCN10A | |
| SCHEMBL21864939 | 0.84 | SCN9A (0.45) | HRH3SCN9ASCN10A | |
| SCHEMBL21865009 | 0.84 | HRH3 (0.44) | HRH3SCN9AAOC2MAOBAOC3 |
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 |