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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 known ✓ | P03956 | 1/20 | 0.30 |
| ▸ | MMP13 known ✓ | P45452 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 3/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.30 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | MMP3 | P08254 | 1/20 | 0.30 |
| ▸ | MMP9 | P14780 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL20017949 | 0.89 | — | — | |
| SCHEMBL25559 | 0.89 | — | — | |
| Methylene Chloride SCHEMBL28239825 | 0.87 | TSHR (0.32) | TSHRMMP1MMP2MMP3MMP9 | |
| Methyl Alcohol SCHEMBL27663485 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL3546439 | 0.87 | — | — | |
| 1,2-Dichloroethane SCHEMBL28112515 | 0.85 | TSHR (0.31) | TSHRMMP1MMP2MMP3MMP9 | |
| SCHEMBL3650782 | 0.76 | TSHR (0.39) | TSHR | |
| Alcohol SCHEMBL28666372 | 0.75 | CHRNB2 (0.36) | LMNAALDH1A1 | |
| SCHEMBL83195 | 0.72 | — | — | |
| SCHEMBL2597326 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113861107-A | Preparation method of isavuconazole sulfate intermediate | 开封明仁药业有限公司 | 2021-12-31 | — | — | CN | claimed |
| CN-113861107-A | Preparation method of isavuconazole sulfate intermediate | 开封明仁药业有限公司 | 2021-12-31 | — | — | CN | disclosed |