Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | APLNR | P35414 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
| ▸ | CACNA2D1 | P54289 | 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 | |
|---|---|---|---|---|
| SCHEMBL6265218 | 1.00 | FFAR3 (0.40) | FFAR3CYP2C19LMNAPOLBHSD11B1 | |
| SCHEMBL3271637 | 0.82 | FFAR3 (0.37) | FFAR3CYP2C19LMNAPOLBTSHR | |
| SCHEMBL19433865 | 0.78 | FFAR3 (0.42) | FFAR3CYP2C19LMNAPOLBAPLNR | |
| SCHEMBL21950902 | 0.76 | FFAR3 (0.50) | FFAR3CYP2C19LMNAPOLBAPLNR | |
| SCHEMBL3670832 | 0.76 | FFAR3 (0.50) | FFAR3CYP2C19LMNAPOLBAPLNR | |
| SCHEMBL21950905 | 0.76 | FFAR3 (0.50) | FFAR3CYP2C19LMNAPOLBAPLNR | |
| SCHEMBL30148860 | 0.76 | ALDH1A1 (0.33) | FFAR3LMNAPOLBALDH1A1 | |
| SCHEMBL3276932 | 0.74 | CYP1A2 (0.46) | FFAR3LMNAPOLBAPLNRALDH1A1 | |
| SCHEMBL14208976 | 0.73 | FFAR3 (0.42) | FFAR3CYP2C19LMNAPOLBALDH1A1 | |
| Bicarbonate SCHEMBL6572045 | 0.71 | FFAR3 (0.43) | FFAR3CYP2C19LMNAHSD11B1APLNR |
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 |