Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 4/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | SCN9A | Q15858 | 14/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | SCN10A | Q9Y5Y9 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21864837 | 0.90 | KDM4E (0.42) | SCN9AKDM4ENPC1RAB9ASCN10A | |
| SCHEMBL21865489 | 0.89 | KDM4E (0.43) | SCN9AKDM4ENPC1RAB9ASCN10A | |
| SCHEMBL21865493 | 0.86 | AOC3 (0.45) | AOC3MAOBSCN9AKDM4ENPC1 | |
| SCHEMBL21865250 | 0.85 | AOC3 (0.63) | AOC3MAOBSCN9A | |
| SCHEMBL21865482 | 0.84 | HRH3 (0.50) | SCN9ASCN10A | |
| SCHEMBL21865490 | 0.84 | HRH3 (0.51) | SCN9ASCN10A | |
| SCHEMBL21864962 | 0.83 | KDM4E (0.41) | AOC3MAOBSCN9AKDM4ENPC1 | |
| SCHEMBL30228528 | 0.83 | RAB9A (0.41) | AOC3MAOBKDM4ENPC1RAB9A | |
| SCHEMBL21865258 | 0.83 | KDM4E (0.42) | SCN9AKDM4ENPC1RAB9ASCN10A | |
| SCHEMBL30228559 | 0.82 | ALDH1A1 (0.47) | KDM4ENPC1RAB9AMAPT |
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 |