Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APLNR | P35414 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL11062252 | 0.88 | APLNR (0.35) | APLNRCYP1A2 | |
| SCHEMBL11518970 | 0.83 | APLNR (0.36) | APLNRCYP1A2 | |
| SCHEMBL11501558 | 0.82 | TRPA1 (0.32) | — | |
| SCHEMBL21856601 | 0.81 | APLNR (0.32) | APLNR | |
| SCHEMBL112213 | 0.81 | APLNR (0.32) | APLNR | |
| SCHEMBL10951171 | 0.79 | APLNR (0.36) | APLNRCYP1A2 | |
| SCHEMBL27971598 | 0.79 | APLNR (0.39) | APLNRCYP1A2 | |
| SCHEMBL10885051 | 0.79 | TDP1 (0.34) | APLNR | |
| SCHEMBL11521736 | 0.77 | APLNR (0.34) | APLNRCYP1A2 | |
| SCHEMBL23457777 | 0.76 | APLNR (0.43) | APLNRCYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4175569-A | Substituted-1-ocetyl-3,3-dimethylcyclohexane employed in flavoring tobacco compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1979-11-27 | — | — | US | disclosed |
| US-4102928-A | REACTING AN ALLYLIC HALIDE WITH 1-ACETYL-3,3-DIMETHYL-CYCLOHEXANE IN THE PRESENCE OF A CROWN ETHER, POTASSIUM HYDROXIDE, AND TOLUENE | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1978-07-25 | — | — | US | disclosed |
| US-4081479-A | ORGANOLEPTIC, ODORS, FLAVORS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1978-03-28 | — | — | US | disclosed |