Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APLNR | P35414 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL30879578 | 0.92 | APLNR (0.43) | APLNRCYP1A2HSD11B1 | |
| SCHEMBL715584 | 0.92 | APLNR (0.43) | APLNRCYP1A2HSD11B1 | |
| SCHEMBL23457777 | 0.92 | APLNR (0.43) | APLNRCYP1A2HSD11B1 | |
| SCHEMBL25971336 | 0.80 | APLNR (0.46) | APLNRCYP1A2 | |
| SCHEMBL17414390 | 0.80 | APLNR (0.46) | APLNRCYP1A2 | |
| SCHEMBL1786829 | 0.80 | APLNR (0.46) | APLNRCYP1A2 | |
| SCHEMBL8933185 | 0.78 | APLNR (0.44) | APLNRCYP1A2HSD11B1 | |
| SCHEMBL11087439 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL11597859 | 0.76 | APLNR (0.36) | APLNR | |
| SCHEMBL11517078 | 0.76 | APLNR (0.36) | APLNR |
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-4147727-A | FLAVORS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1979-04-03 | — | — | US | disclosed |
| US-4119576-A | Perfume compositions and colognes containing 1-butanoyl-3,3-dimethylcyclohexane | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1978-10-10 | — | — | US | disclosed |
| US-4081481-A | PERFUMES | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1978-03-28 | — | — | US | disclosed |