Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.50 |
| ▸ | SCN9A | Q15858 | 17/20 | 0.47 |
| ▸ | SCN7A | Q01118 | 2/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.47 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.47 |
| ▸ | SCN10A | Q9Y5Y9 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL21865490 | 0.99 | HRH3 (0.51) | HRH3SCN9ASCN7AKCNH2SCN5A | |
| SCHEMBL21865501 | 0.93 | SCN9A (0.50) | HRH3SCN9ASCN7AKCNH2SCN5A | |
| SCHEMBL21865266 | 0.93 | SCN9A (0.49) | HRH3SCN9ASCN10A | |
| SCHEMBL21864841 | 0.89 | PTK2 (0.42) | HRH3SCN9ASCN7AKCNH2SCN5A | |
| SCHEMBL21865091 | 0.88 | HRH3 (0.46) | HRH3SCN9A | |
| SCHEMBL21865085 | 0.88 | PTK2 (0.41) | HRH3SCN9ASCN7AKCNH2SCN5A | |
| SCHEMBL21864938 | 0.87 | SCN9A (0.41) | HRH3SCN9ASCN10A | |
| SCHEMBL21864837 | 0.87 | KDM4E (0.42) | SCN9ASCN10A | |
| SCHEMBL21864968 | 0.86 | MCHR1 (0.42) | SCN9ASCN7AKCNH2 | |
| SCHEMBL21865489 | 0.86 | KDM4E (0.43) | SCN9ASCN10A |
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 |