Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 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 | |
|---|---|---|---|---|
| SCHEMBL3270369 | 0.89 | ALDH1A1 (0.41) | CYP1A2KDM4EALDH1A1TDP1 | |
| SCHEMBL3273074 | 0.85 | CYP2C19 (0.41) | KDM4ECYP2C19 | |
| SCHEMBL3273903 | 0.83 | CYP2C19 (0.33) | CYP2C19 | |
| SCHEMBL3276932 | 0.72 | CYP1A2 (0.46) | CYP1A2ALDH1A1 | |
| SCHEMBL3273241 | 0.70 | TSHR (0.36) | KDM4EALDH1A1 | |
| SCHEMBL3277214 | 0.68 | TSHR (0.35) | ALDH1A1 | |
| SCHEMBL3277864 | 0.67 | CYP2C19 (0.33) | CYP2C19 | |
| SCHEMBL5157556 | 0.67 | CYP2C19 (0.33) | ALDH1A1TDP1CYP2C19 | |
| SCHEMBL11302329 | 0.64 | CYP1A2 (0.44) | CYP1A2KDM4EALDH1A1TDP1CYP2C19 | |
| SCHEMBL778224 | 0.63 | ALDH1A1 (0.42) | KDM4EALDH1A1CYP2C19CYP19A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7687452-B2 | 2-(3,3-dimethylcyclohexyl)propionic acid ethoxycarbonylmethyl ester; 1,5,5-trimethylspiro[2.5]octane-1-carboxylic acid ethoxycarbonylmethyl ester; new powerful musk odorants | GIVAUDAN SA (CH) | 2010-03-30 | — | — | US | claimed |
| EP-1743013-B1 | ALICYCLIC CARBOXYLIC ACID OXYCARBONYLMETHYL ESTERS AND THEIR USE AS ODORANTS | GIVAUDAN SA (CH) | 2007-12-19 | — | — | EP | claimed |
| US-20070225201-A1 | Organic Compounds | GIVAUDAN SA (CH) | 2007-09-27 | — | — | US | claimed |
| EP-1743013-B1 | ALICYCLIC CARBOXYLIC ACID OXYCARBONYLMETHYL ESTERS AND THEIR USE AS ODORANTS | GIVAUDAN SA (CH) | 2007-12-19 | — | — | EP | disclosed |