Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Alcohol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL7938331 | 1.00 | ALDH1A1 (0.41) | ALDH1A1LMNAHSD17B10ALOX15PTPN1 | |
| SCHEMBL8008448 | 0.96 | ALDH1A1 (0.44) | ALDH1A1LMNAHSD17B10ALOX15PTPN1 | |
| SCHEMBL8008451 | 0.96 | ALDH1A1 (0.44) | ALDH1A1LMNAHSD17B10ALOX15PTPN1 | |
| SCHEMBL8015613 | 0.79 | ALDH1A1 (0.44) | ALDH1A1LMNAHSD17B10ALOX15PTPN1 | |
| SCHEMBL11402672 | 0.79 | ALDH1A1 (0.44) | ALDH1A1LMNAHSD17B10ALOX15PTPN1 | |
| SCHEMBL8015610 | 0.79 | ALDH1A1 (0.44) | ALDH1A1LMNAHSD17B10ALOX15PTPN1 | |
| SCHEMBL10782842 | 0.79 | ALDH1A1 (0.44) | ALDH1A1LMNAHSD17B10ALOX15PTPN1 | |
| SCHEMBL10782837 | 0.79 | ALDH1A1 (0.44) | ALDH1A1LMNAHSD17B10ALOX15PTPN1 | |
| SCHEMBL8022949 | 0.74 | ALDH1A1 (0.47) | ALDH1A1LMNAHSD17B10ALOX15PTPN1 | |
| SCHEMBL11789874 | 0.74 | ALDH1A1 (0.47) | ALDH1A1LMNAHSD17B10ALOX15PTPN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0825168-B1 | Preparation of gamma-halotiglinaldehydes | HOFFMANN LA ROCHE (CH) | 2001-11-21 | — | — | EP | disclosed |
| EP-0825168-A2 | Preparation of gamma-halotiglinaldehydes | F. HOFFMANN-LA ROCHE AG (CH) | 1998-02-25 | — | — | EP | disclosed |