Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL14848352 | 0.81 | ALDH1A1 (0.36) | CES2ALOX15CYP1B1ALDH1A1 | |
| SCHEMBL2697911 | 0.81 | ALDH1A1 (0.36) | CES2ALOX15CYP1B1ALDH1A1 | |
| SCHEMBL21333386 | 0.78 | ALDH1A1 (0.34) | CES2ALOX15CYP1B1ALDH1A1 | |
| SCHEMBL4451955 | 0.77 | — | — | |
| SCHEMBL11084720 | 0.74 | ALDH1A1 (0.66) | ALOX15CYP1B1ALDH1A1 | |
| SCHEMBL15681914 | 0.74 | ALDH1A1 (0.66) | ALOX15CYP1B1ALDH1A1 | |
| SCHEMBL12654598 | 0.74 | — | — | |
| SCHEMBL21333101 | 0.74 | — | — | |
| SCHEMBL14724748 | 0.74 | — | — | |
| SCHEMBL8287049 | 0.74 | — | — |
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-2019173776-A1 | FRAGRANCE AND FLAVOR MATERIALS DERIVED FROM 1-(4-METHYLCYCLOHEX-1-EN-1-YL)ETHAN-1-ONE | TAKASAGO INTERNATIONAL CORPORATION (USA) (US) | 2019-09-12 | — | — | WO | disclosed |