Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC2 | O75106 | 5/20 | 0.48 |
| ▸ | MAOB | P27338 | 4/20 | 0.48 |
| ▸ | MAOA | P21397 | 3/20 | 0.48 |
| ▸ | DAO | P14920 | 2/20 | 0.48 |
| ▸ | AOC3 | Q16853 | 14/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21865077 | 0.82 | AOC2 (0.51) | AOC2MAOBMAOADAOAOC3 | |
| SCHEMBL21865011 | 0.82 | F2 (0.40) | — | |
| SCHEMBL21865041 | 0.78 | AOC3 (0.45) | AOC2MAOBMAOADAOAOC3 | |
| SCHEMBL21864956 | 0.77 | AOC3 (0.56) | AOC2MAOBMAOADAOAOC3 | |
| Hydrochloric Acid SCHEMBL30228499 | 0.76 | AOC3 (0.57) | AOC2MAOBMAOADAOAOC3 | |
| Hydrochloric Acid SCHEMBL28992077 | 0.76 | AOC3 (0.57) | AOC2MAOBMAOADAOAOC3 | |
| Hydrochloric Acid SCHEMBL28992122 | 0.76 | AOC3 (0.57) | AOC2MAOBMAOADAOAOC3 | |
| Hydrochloric Acid SCHEMBL30228551 | 0.76 | AOC3 (0.57) | AOC2MAOBMAOADAOAOC3 | |
| SCHEMBL21865061 | 0.76 | MAOB (0.44) | AOC2MAOBMAOADAOAOC3 | |
| SCHEMBL21865008 | 0.76 | MEN1 (0.60) | — |
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 |