Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | NCF1 | P14598 | 1/20 | 0.36 |
| ▸ | F2R | P25116 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21865470 | 0.90 | KDM4E (0.40) | AOC3KDM4ENPC1RAB9AMAPT | |
| SCHEMBL21864819 | 0.86 | AOC3 (0.47) | AOC3KDM4ENPC1RAB9AMAPT | |
| SCHEMBL30228528 | 0.85 | RAB9A (0.41) | AOC3KDM4ENPC1RAB9AMAPT | |
| SCHEMBL21864956 | 0.85 | AOC3 (0.56) | AOC3MAOB | |
| SCHEMBL21864837 | 0.84 | KDM4E (0.42) | KDM4ENPC1RAB9AMAPTALDH1A1 | |
| SCHEMBL21865011 | 0.84 | F2 (0.40) | KDM4ENPC1RAB9AMAPTALDH1A1 | |
| SCHEMBL21865489 | 0.83 | KDM4E (0.43) | KDM4ENPC1RAB9AMAPTALDH1A1 | |
| SCHEMBL21864962 | 0.83 | KDM4E (0.41) | AOC3KDM4ENPC1RAB9AMAPT | |
| SCHEMBL30228559 | 0.82 | ALDH1A1 (0.47) | KDM4ENPC1RAB9AMAPTALDH1A1 | |
| SCHEMBL28992126 | 0.82 | ALDH1A1 (0.47) | KDM4ENPC1RAB9AMAPTALDH1A1 |
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 |