Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.33 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19058480 | 0.85 | CES2 (0.37) | CES2TRPA1TRPM8EPHX1 | |
| SCHEMBL18807613 | 0.84 | EPHX1 (0.36) | CES2TRPA1TRPM8EPHX1L3MBTL1 | |
| SCHEMBL25404332 | 0.83 | — | — | |
| SCHEMBL25404335 | 0.83 | — | — | |
| Isopulegol SCHEMBL8815381 | 0.80 | TRPA1 (0.45) | CES2TRPA1TRPM8EPHX1 | |
| SCHEMBL24538452 | 0.80 | TRPA1 (0.31) | TRPA1TRPM8EPHX1 | |
| Isopulegol SCHEMBL20903638 | 0.80 | TRPA1 (0.45) | CES2TRPA1TRPM8EPHX1 | |
| Isopulegol SCHEMBL20903648 | 0.80 | TRPA1 (0.45) | CES2TRPA1TRPM8EPHX1 | |
| Isopulegol SCHEMBL20681722 | 0.80 | TRPA1 (0.45) | CES2TRPA1TRPM8EPHX1 | |
| Isopulegol SCHEMBL8814281 | 0.80 | TRPA1 (0.45) | CES2TRPA1TRPM8EPHX1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021114021-A1 | PREPARATION METHOD FOR OPTICALLY ACTIVE CITRONELLAL | 万华化学集团股份有限公司 | 2021-06-17 | — | — | WO | disclosed |
| EP-3110810-B1 | PYRAZOLE AMIDE DERIVATIVE | TEIJIN PHARMA LTD (JP) | 2018-05-02 | — | — | EP | disclosed |