Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 4/20 | 0.41 |
| ▸ | BRAF | P15056 | 1/20 | 0.37 |
| ▸ | ACACB | O00763 | 2/20 | 0.36 |
| ▸ | AOC2 | O75106 | 1/20 | 0.35 |
| ▸ | NCF1 | P14598 | 5/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.35 |
| ▸ | P2RY12 | Q9H244 | 3/20 | 0.35 |
| ▸ | APP | P05067 | 2/20 | 0.34 |
| ▸ | CBFB | Q13951 | 1/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 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 | |
|---|---|---|---|---|
| SCHEMBL21864993 | 0.86 | AOC2 (0.51) | AOC2AOC3 | |
| SCHEMBL21865297 | 0.79 | KDM4E (0.39) | ACACBNCF1PDE3BPDE3AP2RY12 | |
| SCHEMBL23833345 | 0.74 | MIF (0.46) | MIFBRAFPDE3BPDE3ACBFB | |
| SCHEMBL21864992 | 0.74 | AOC2 (0.45) | AOC2AOC3 | |
| SCHEMBL21865040 | 0.70 | AOC2 (0.51) | AOC2AOC3 | |
| SCHEMBL30473108 | 0.70 | MIF (0.49) | MIFBRAFNCF1APPCBFB | |
| SCHEMBL17980653 | 0.69 | MIF (0.48) | MIFBRAFNCF1APPCBFB | |
| SCHEMBL21864972 | 0.69 | AOC2 (0.49) | AOC2AOC3 | |
| SCHEMBL716117 | 0.68 | TSHR (0.50) | — | |
| SCHEMBL21864852 | 0.68 | AOC2 (0.50) | AOC2AOC3 |
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 |