Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL11273924 | 0.80 | ALDH1A1 (0.36) | NLRP3ALDH1A1LMNAHSD17B10 | |
| SCHEMBL29418030 | 0.73 | GRM2 (0.41) | CYP1A2 | |
| SCHEMBL7896293 | 0.71 | — | — | |
| SCHEMBL18871922 | 0.71 | ALDH1A1 (0.39) | NLRP3ALDH1A1LMNAHSD17B10 | |
| SCHEMBL13542847 | 0.71 | ALDH1A1 (0.39) | NLRP3ALDH1A1LMNAHSD17B10 | |
| SCHEMBL9722074 | 0.70 | MAPK1 (0.34) | LMNA | |
| SCHEMBL3478687 | 0.70 | NLRP3 (0.39) | NLRP3ALDH1A1LMNAHSD17B10 | |
| SCHEMBL929456 | 0.70 | NLRP3 (0.39) | NLRP3ALDH1A1LMNAHSD17B10 | |
| SCHEMBL13542848 | 0.70 | ATM (0.44) | NLRP3ALDH1A1LMNAHSD17B10 | |
| SCHEMBL9388119 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |