Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 3/20 | 0.38 |
| ▸ | AOC2 | O75106 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 9/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 9/20 | 0.35 |
| ▸ | P2RY12 | Q9H244 | 8/20 | 0.35 |
| ▸ | PDE2A | O00408 | 3/20 | 0.35 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | NCF1 | P14598 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.34 |
| ▸ | THRA | P10827 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21865258 | 0.86 | KDM4E (0.42) | BRD4AOC2KDM4ENPC1RAB9A | |
| SCHEMBL21864854 | 0.82 | BRD4 (0.41) | BRD4AOC2KDM4ENPC1RAB9A | |
| SCHEMBL21864827 | 0.81 | KDM4E (0.37) | BRD4AOC2KDM4ENPC1RAB9A | |
| SCHEMBL30228528 | 0.81 | RAB9A (0.41) | KDM4ENPC1RAB9AMAPTPDE3B | |
| SCHEMBL21864972 | 0.80 | AOC2 (0.49) | AOC2AOC3MAOB | |
| SCHEMBL21865489 | 0.79 | KDM4E (0.43) | KDM4ENPC1RAB9AMAPTNCF1 | |
| SCHEMBL21864989 | 0.78 | STK17B (0.41) | KDM4ENPC1RAB9AMAPTPDE3B | |
| SCHEMBL21864837 | 0.78 | KDM4E (0.42) | KDM4ENPC1RAB9AMAPTPDE3B | |
| SCHEMBL28992126 | 0.78 | ALDH1A1 (0.47) | KDM4ENPC1RAB9AMAPT | |
| SCHEMBL30228559 | 0.78 | 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 |