Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 4/20 | 0.47 |
| ▸ | HSPB1 | P04792 | 4/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.39 |
| ▸ | MET | P08581 | 5/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4814859 | 1.00 | TRPA1 (0.47) | TRPA1HSPB1ROCK2CYP3A4MAPT | |
| SCHEMBL20659698 | 0.88 | ROCK2 (0.43) | TRPA1ROCK2CYP3A4MET | |
| SCHEMBL23081494 | 0.87 | HSPB1 (0.44) | TRPA1HSPB1ROCK2CYP3A4MAPT | |
| SCHEMBL29814379 | 0.87 | HSPB1 (0.44) | TRPA1HSPB1ROCK2CYP3A4MAPT | |
| SCHEMBL18548485 | 0.83 | TRPA1 (0.70) | TRPA1HSPB1ROCK2CYP3A4MAPT | |
| SCHEMBL30310264 | 0.82 | HSPB1 (0.44) | HSPB1ROCK2CYP3A4MAPTALDH1A1 | |
| SCHEMBL21777818 | 0.82 | HSPB1 (0.44) | HSPB1ROCK2CYP3A4MAPTALDH1A1 | |
| SCHEMBL30310263 | 0.82 | HSPB1 (0.44) | HSPB1ROCK2CYP3A4MAPTALDH1A1 | |
| SCHEMBL4250011 | 0.82 | MET (0.56) | HSPB1ROCK2CYP3A4MAPTALDH1A1 | |
| SCHEMBL4248999 | 0.81 | MET (0.43) | HSPB1ROCK2CYP3A4MAPTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110520416-B | Polysubstituted pyridone derivative, preparation method and medical application thereof | 北京越之康泰生物医药科技有限公司 | 2022-06-03 | — | — | CN | disclosed |