Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 4/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8625211 | 0.85 | TRPV1 (0.55) | TRPV1ALDH1A1ALOX15 | |
| SCHEMBL8625205 | 0.85 | TRPV1 (0.55) | TRPV1ALDH1A1ALOX15 | |
| SCHEMBL3197298 | 0.80 | TRPV1 (0.56) | TRPV1 | |
| SCHEMBL15246096 | 0.77 | ALDH1A1 (0.56) | TRPV1ALDH1A1ALOX15 | |
| SCHEMBL10641793 | 0.76 | CYP3A4 (0.51) | ALDH1A1ALOX15 | |
| SCHEMBL4957845 | 0.76 | TRPV1 (0.66) | TRPV1ALDH1A1ALOX15 | |
| SCHEMBL8670018 | 0.75 | ALDH1A1 (0.73) | TRPV1ALDH1A1ALOX15 | |
| SCHEMBL8670016 | 0.75 | ALDH1A1 (0.73) | TRPV1ALDH1A1ALOX15 | |
| SCHEMBL854153 | 0.75 | CDC25B (0.60) | ALDH1A1ALOX15 | |
| SCHEMBL11703926 | 0.74 | ALDH1A1 (0.71) | TRPV1ALDH1A1ALOX15 |
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-6093691-A | BETA-KETOESTER PROFRAGRANCES SUCH AS 3,7-DIMETHYL-1,6-OCTADIEN-3-YL 2-(BETA-NAPHTHY)-3-OXO-PROPIONATE, AND FABRIC SOFTENING INGREDIENTS SUCH AS CATIONIC FABRIC SOFTENERS, STABILIZERS | THE PROCTER & GAMBLE COMPANY (US) | 2000-07-25 | — | — | US | claimed |
| US-6100233-A | Odor control compositions comprising β-ketoester pro-fragrances | THE PROCTER & GAMBLE COMPANY (US) | 2000-08-08 | — | — | US | disclosed |