Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.34 |
| ▸ | SOD1 | P00441 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.32 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | EP300 | Q09472 | 1/20 | 0.31 |
| ▸ | KARS1 | Q15046 | 1/20 | 0.30 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.30 |
| ▸ | CETP | P11597 | 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 | |
|---|---|---|---|---|
| SCHEMBL14880080 | 1.00 | TRPA1 (0.34) | TRPA1SOD1CYP3A4MAPTRECQL | |
| SCHEMBL14882179 | 1.00 | TRPA1 (0.34) | TRPA1SOD1CYP3A4MAPTRECQL | |
| SCHEMBL16011025 | 0.77 | CYP19A1 (0.37) | SOD1CYP3A4MAPTCYP19A1CYP2C9 | |
| SCHEMBL18250213 | 0.72 | CYP3A4 (0.33) | TRPA1CYP3A4MAPTRECQLTSHR | |
| SCHEMBL16499264 | 0.63 | TRPA1 (0.35) | TRPA1SOD1CYP3A4MAPTPIK3CA | |
| SCHEMBL12825623 | 0.63 | TRPA1 (0.35) | TRPA1SOD1CYP3A4MAPTPIK3CA | |
| SCHEMBL12825583 | 0.62 | GAA (0.33) | CYP3A4MAPTCYP19A1CETP | |
| SCHEMBL14881348 | 0.62 | CYP3A4 (0.31) | CYP3A4MAPTRECQL | |
| SCHEMBL21916419 | 0.62 | CYP3A4 (0.31) | CYP3A4MAPTRECQL | |
| SCHEMBL14879803 | 0.62 | CYP3A4 (0.31) | CYP3A4MAPTRECQL |
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-4226892-A | Flavoring with cycloaliphatic unsaturated ketones | FIRMENICH SA (CH) | 1980-10-07 | — | — | US | disclosed |
| US-4187863-A | Cycloaliphatic unsaturated ketones as odor and taste modifying agents in tobacco products | FIRMENICH SA (CH) | 1980-02-12 | — | — | US | disclosed |
| US-3975310-A | PERFUME | FIRMENICH S.A. (CH) | 1976-08-17 | — | — | US | disclosed |
| US-3931326-A | FLAVOR, TASTE, ODOR, PERFUMES | FIRMENICH SA (CH) | 1976-01-06 | — | — | US | disclosed |