Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | APLNR | P35414 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.30 |
| ▸ | EP300 | Q09472 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | CREBBP | Q92793 | 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 SCHEMBL10706379 | 0.75 | CYP1A2 (0.53) | CYP1A2LMNAAPLNRHIF1A | |
| SCHEMBL3272005 | 0.74 | FFAR3 (0.40) | CYP1A2POLBLMNAAPLNRALDH1A1 | |
| SCHEMBL6265218 | 0.74 | FFAR3 (0.40) | CYP1A2POLBLMNAAPLNRALDH1A1 | |
| SCHEMBL5899588 | 0.73 | CYP1A2 (0.45) | CYP1A2 | |
| SCHEMBL18306290 | 0.73 | CYP1A2 (0.52) | CYP1A2LMNAAPLNRFFAR3HIF1A | |
| SCHEMBL5806204 | 0.73 | CYP1A2 (0.52) | CYP1A2LMNAAPLNRFFAR3HIF1A | |
| SCHEMBL18069837 | 0.73 | CYP1A2 (0.52) | CYP1A2LMNAAPLNRFFAR3HIF1A | |
| SCHEMBL3270369 | 0.73 | ALDH1A1 (0.41) | CYP1A2LMNAALDH1A1 | |
| Hydrogen Peroxide SCHEMBL27513983 | 0.72 | CYP1A2 (0.48) | CYP1A2APLNRALDH1A1TRPA1 | |
| SCHEMBL6917387 | 0.72 | CYP1A2 (0.50) | CYP1A2LMNAAPLNRFFAR3HIF1A |
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-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 | disclosed |
| US-20070225201-A1 | Organic Compounds | GIVAUDAN SA (CH) | 2007-09-27 | — | — | US | disclosed |