Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.31 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.30 |
| ▸ | FYN | P06241 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | DRD4 | P21917 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
| ▸ | PGR | P06401 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| SCHEMBL872949 | 0.79 | ALDH1A1 (0.36) | NLRP3ALDH1A1LMNAHSD17B10PDK1 | |
| SCHEMBL465346 | 0.77 | TSHR (0.40) | ALDH1A1HSD17B10SMN1; SMN2TSHR | |
| SCHEMBL21243366 | 0.76 | ALDH1A1 (0.39) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL21243340 | 0.76 | TP53 (0.50) | — | |
| SCHEMBL21243370 | 0.76 | TP53 (0.39) | — | |
| SCHEMBL13892331 | 0.76 | CES2 (0.36) | NLRP3ALDH1A1LMNAHSD17B10TSHR | |
| SCHEMBL13003493 | 0.76 | — | — | |
| SCHEMBL14330314 | 0.75 | ALDH1A1 (0.36) | NLRP3ALDH1A1LMNAHSD17B10PDK1 | |
| SCHEMBL1472455 | 0.75 | NLRP3 (0.35) | NLRP3ALDH1A1LMNAHSD17B10CHRM1 | |
| SCHEMBL21001088 | 0.74 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4321164-A | 2,4,6-Trimethylcyclohexanemethanol and derivatives, process for preparing same and organoleptic uses thereof | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1982-03-23 | — | — | US | disclosed |
| US-4311602-A | Use of 2,4,6-trimethylcyclohexanemethanol derivatives in augmenting or enhancing the aroma of dryer-added fabric softener articles | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1982-01-19 | — | — | US | disclosed |
| US-4301022-A | COMPRISING THE ACETIC ACID ESTER AND THE CYCLOHEXENE COMPOUNDS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1981-11-17 | — | — | US | disclosed |
| US-4289146-A | Use of 2,4,6-trimethylcyclohexanemethanol and derivatives for augmenting or enhancing the aroma or taste of smoking tobacco and smoking tobacco articles | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1981-09-15 | — | — | US | disclosed |
| US-4282205-A | 2,4,6-Trimethylcyclohexanemethanol and derivatives, process for preparing same and organoleptic uses thereof | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1981-08-04 | — | — | US | disclosed |