Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 19/20 | 0.51 |
| ▸ | HTR3A | P46098 | 1/20 | 0.48 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL21864974 | 0.90 | AOC3 (0.52) | AOC3 | |
| SCHEMBL21865246 | 0.88 | AOC3 (0.64) | AOC3 | |
| SCHEMBL21864983 | 0.82 | SCN7A (0.56) | AOC3 | |
| SCHEMBL21864829 | 0.79 | AOC3 (0.44) | AOC3 | |
| SCHEMBL21864950 | 0.79 | AOC3 (0.44) | AOC3 | |
| SCHEMBL21864985 | 0.79 | AOC3 (0.47) | AOC3 | |
| SCHEMBL21864998 | 0.77 | MAOA (0.49) | AOC3 | |
| SCHEMBL21865042 | 0.77 | AOC2 (0.50) | AOC3 | |
| SCHEMBL21864964 | 0.76 | AOC2 (0.49) | AOC3 | |
| SCHEMBL21864984 | 0.74 | MAOA (0.50) | 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 |