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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL24016943 | 0.83 | — | — | |
| SCHEMBL52731 | 0.83 | — | — | |
| SCHEMBL28597474 | 0.83 | — | — | |
| SCHEMBL24016942 | 0.83 | — | — | |
| SCHEMBL25549783 | 0.83 | — | — | |
| SCHEMBL4111314 | 0.75 | — | — | |
| SCHEMBL36405 | 0.75 | — | — | |
| Tert-Butanol SCHEMBL7255228 | 0.75 | THRB (0.32) | THRBLMNA | |
| Isopropyl Alcohol SCHEMBL7259174 | 0.75 | LMNA (0.38) | ALDH1A1THRBLMNA | |
| SCHEMBL4109736 | 0.75 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003006442-A1 | NOVEL PREPARATION PROCESS OF 1,3-OXAZOLE-2-THIOL | BAYER CROPSCIENCE AG (DE) | 2003-01-23 | — | — | WO | disclosed |