Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of 1-Hexanol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.87 |
| ▸ | TSHR | P16473 | 3/20 | 0.87 |
| ▸ | MEN1 | O00255 | 3/20 | 0.87 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.87 |
| ▸ | LMNA | P02545 | 2/20 | 0.87 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.87 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.80 |
| ▸ | THRB | P10828 | 2/20 | 0.53 |
| ▸ | DNM1 | Q05193 | 5/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Octanol SCHEMBL15974897 | 1.00 | ALDH1A1 (0.87) | ALDH1A1TSHRMEN1KMT2ALMNA | |
| Cetyl Alcohol SCHEMBL873050 | 0.97 | ALDH1A1 (0.93) | ALDH1A1TSHRMEN1KMT2ALMNA | |
| Alcohol SCHEMBL5138742 | 0.97 | ALDH1A1 (0.93) | ALDH1A1TSHRMEN1KMT2ALMNA | |
| Triacontanol SCHEMBL5609342 | 0.97 | ALDH1A1 (0.93) | ALDH1A1TSHRMEN1KMT2ALMNA | |
| Dodecanol SCHEMBL6086821 | 0.97 | ALDH1A1 (0.93) | ALDH1A1TSHRMEN1KMT2ALMNA | |
| Docosanol SCHEMBL4958624 | 0.97 | ALDH1A1 (0.93) | ALDH1A1TSHRMEN1KMT2ALMNA | |
| Decanol SCHEMBL10594393 | 0.97 | ALDH1A1 (0.93) | ALDH1A1TSHRMEN1KMT2ALMNA | |
| Undecanol SCHEMBL4656406 | 0.97 | ALDH1A1 (0.93) | ALDH1A1TSHRMEN1KMT2ALMNA | |
| Myristyl Alcohol SCHEMBL2046092 | 0.97 | ALDH1A1 (0.93) | ALDH1A1TSHRMEN1KMT2ALMNA | |
| Nonanol SCHEMBL2761019 | 0.97 | ALDH1A1 (0.93) | ALDH1A1TSHRMEN1KMT2ALMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2582650-A1 | CATALYTIC CONVERSION OF ALCOHOLS AND ALDEHYDES | Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) | 2013-04-24 | — | — | EP | disclosed |
| WO-2011157322-A1 | CATALYTIC CONVERSION OF ALCOHOLS AND ALDEHYDES | Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) | 2011-12-22 | — | — | WO | disclosed |
| US-5210296-A | Esterification, distillation | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1993-05-11 | — | — | US | disclosed |