Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.32 |
| ▸ | GRIK1 | P39086 | 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 | |
|---|---|---|---|---|
| SCHEMBL1069665 | 0.98 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL6794071 | 0.82 | ALDH1A1 (0.40) | ALDH1A1GRIK1 | |
| SCHEMBL6794065 | 0.82 | ALDH1A1 (0.40) | ALDH1A1GRIK1 | |
| SCHEMBL9797033 | 0.80 | EPHX2 (0.44) | ALDH1A1 | |
| SCHEMBL9797027 | 0.80 | EPHX2 (0.44) | ALDH1A1 | |
| Bicarbonate SCHEMBL10356465 | 0.77 | EPHX1 (0.33) | ALDH1A1GRIK1 | |
| SCHEMBL3152226 | 0.76 | PAOX (0.41) | — | |
| SCHEMBL29263653 | 0.74 | PPARG (0.46) | ALDH1A1 | |
| SCHEMBL1791247 | 0.74 | GRIK1 (0.33) | GRIK1 | |
| SCHEMBL31035999 | 0.73 | LMNA (0.47) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2580309-A1 | BICYCLO-KETONES AS PERFUMING INGREDIENTS | Firmenich SA (CH) | 2013-04-17 | — | — | EP | disclosed |
| WO-2011154859-A1 | BICYCLO-KETONES AS PERFUMING INGREDIENTS | FIRMENICH SA (CH) | 2011-12-15 | — | — | WO | disclosed |
| EP-2268779-A1 | KETONES AS PERFUMING INGREDIENTS | Firmenich S.A. (CH) | 2011-01-05 | — | — | EP | disclosed |
| WO-2009128026-A1 | KETONES AS PERFUMING INGREDIENTS | FIRMENICH SA (CH) | 2009-10-22 | — | — | WO | disclosed |