Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8037001 | 0.83 | ALDH1A1 (0.46) | ALDH1A1 | |
| SCHEMBL8039016 | 0.82 | HTT (0.42) | TRPV1ALDH1A1HSP90AA1 | |
| SCHEMBL8035589 | 0.80 | TRPV1 (0.41) | TRPV1ALDH1A1HSP90AA1 | |
| SCHEMBL8041247 | 0.78 | HSP90AA1 (0.39) | TRPV1ALDH1A1HSP90AA1 | |
| SCHEMBL8035119 | 0.78 | KDM4E (0.40) | ALDH1A1HSP90AA1 | |
| SCHEMBL8035729 | 0.77 | PTPN1 (0.37) | ALDH1A1 | |
| SCHEMBL8035099 | 0.77 | TRPV1 (0.47) | TRPV1 | |
| SCHEMBL8039002 | 0.75 | MAPT (0.39) | ALDH1A1HSP90AA1 | |
| SCHEMBL8025491 | 0.74 | KDM4E (0.42) | ALDH1A1 | |
| SCHEMBL8032092 | 0.73 | ALDH1A1 (0.44) | ALDH1A1 |
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-2009081892-A1 | NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND USE OF THOSE | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2009-07-02 | — | — | WO | disclosed |