Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CCR2 | P41597 | 13/20 | 0.35 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | GSTP1 | P09211 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24329178 | 0.67 | ALDH1A1 (0.38) | ALDH1A1CYP3A4GSTP1 | |
| SCHEMBL22015751 | 0.66 | ALDH1A1 (0.37) | ALDH1A1CYP3A4GSTP1 | |
| SCHEMBL22826554 | 0.65 | — | — | |
| SCHEMBL21963892 | 0.65 | ALDH1A1 (0.36) | ALDH1A1GSTP1 | |
| SCHEMBL23163121 | 0.65 | ALDH1A1 (0.36) | ALDH1A1GSTP1 | |
| SCHEMBL23544215 | 0.63 | ALDH1A1 (0.38) | ALDH1A1NLRP3CYP3A4GSTP1 | |
| SCHEMBL14855693 | 0.63 | — | — | |
| SCHEMBL12032197 | 0.62 | TDP1 (0.49) | — | |
| SCHEMBL15798092 | 0.62 | TDP1 (0.49) | — | |
| SCHEMBL15798094 | 0.62 | TDP1 (0.49) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0955290-B1 | Unsaturated ketones and their use in perfumery | FIRMENICH & CIE (CH) | 2003-03-19 | — | — | EP | disclosed |
| US-6177400-B1 | IMPROVING OR MODIFYING THE ODOR OF A PERFUME BY ADDING 4,6,6-TRIMETHYL-1,(3)-CYCLOHEX(ADI)ENE 1-SUBSTITUTED WITH ESTERS, ETHERS OR KETONES, SUCH AS (E)-1-(4,6,6-TRIMETHYL-1,3-CYCLOHEXADIEN-1-YL)-2-BUTEN-1-ONE | FIRMENICH SA (CH) | 2001-01-23 | — | — | US | disclosed |
| EP-0955290-A1 | Unsaturated ketones and their use in perfumery | FIRMENICH SA (CH) | 1999-11-10 | — | — | EP | disclosed |