Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.32 |
| ▸ | ACE | P12821 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11821390 | 1.00 | CES2 (0.46) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL11821386 | 1.00 | CES2 (0.46) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL11819065 | 0.98 | CES2 (0.42) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL11819068 | 0.98 | CES2 (0.42) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL17432039 | 0.87 | — | — | |
| SCHEMBL7739531 | 0.80 | CES2 (0.50) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL8532638 | 0.79 | CES2 (0.44) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL11888155 | 0.79 | ACE (0.35) | EPHX1ACE | |
| SCHEMBL8532637 | 0.79 | CES2 (0.44) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL7181348 | 0.78 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118126047-A | Preparation method of water-based organic negative electrode active material, water-based organic negative electrode and water-based battery | 广西电网有限责任公司电力科学研究院 | 2024-06-04 | — | — | CN | disclosed |
| US-4492645-A | Organoleptic use of cyclohexenyl-alpha-alkyl acrolein derivatives | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1985-01-08 | — | — | US | disclosed |
| US-4487701-A | ORGANOLEPTIC | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1984-12-11 | — | — | US | disclosed |
| US-4480647-A | Use of cyclohexenyl-alkyl acrolein derivatives in augmenting or enhancing the aroma or taste of smoking tobacco compositions and smoking tobacco articles | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1984-11-06 | — | — | US | disclosed |
| US-4465695-A | FLAVOR, AROMA ENHANCERS FOR FOODS, VITAMINS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1984-08-14 | — | — | US | disclosed |
| US-4427708-A | Use of cyclohexenyl-alpha-alkyl acrolein derivatives in augmenting or enhancing the aroma or taste of foodstuffs | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1984-01-24 | — | — | US | disclosed |
| US-4424379-A | FLAVORS, TASTES, ODORS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1984-01-03 | — | — | US | disclosed |
| US-4416902-A | Flavoring with cyclohexenyl-beta-methyl acrolein derivatives | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1983-11-22 | — | — | US | disclosed |