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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 4/20 | 0.58 |
| ▸ | TYR | P14679 | 2/20 | 0.49 |
| ▸ | TRIM24 | O15164 | 2/20 | 0.49 |
| ▸ | TRIM33 | Q9UPN9 | 2/20 | 0.49 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1006586 | 0.90 | ERN1 (0.69) | ERN1TYRTRIM24TRIM33PTGDR2 | |
| 5-Bromosalicylaldehyde SCHEMBL28150995 | 0.85 | ERN1 (0.81) | ERN1PTGDR2CA12CA9CASP1 | |
| Alcohol SCHEMBL28467995 | 0.78 | ERN1 (0.58) | ERN1TYRTRIM24TRIM33CASP1 | |
| Alcohol SCHEMBL28646336 | 0.78 | ERN1 (0.45) | ERN1TYRTRIM24TRIM33 | |
| Alcohol SCHEMBL28458502 | 0.75 | TYR (0.86) | ERN1TYRTRIM24TRIM33 | |
| SCHEMBL3654095 | 0.75 | ERN1 (0.48) | ERN1PTGDR2CYP2A6 | |
| SCHEMBL29793157 | 0.75 | ERN1 (0.48) | ERN1PTGDR2CYP2A6 | |
| 5-Bromosalicylaldehyde SCHEMBL28108942 | 0.75 | ERN1 (0.92) | ERN1CA12CA9CASP1 | |
| 5-Bromosalicylaldehyde SCHEMBL29399181 | 0.74 | ERN1 (1.00) | ERN1TRIM24TRIM33PTGDR2CA12 | |
| 5-Bromosalicylaldehyde SCHEMBL79219 | 0.74 | ERN1 (1.00) | ERN1TRIM24TRIM33PTGDR2CA12 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108586623-B | Cellulose-based Schiff base catalyst and preparation method and application thereof | 昆明理工大学 | 2020-08-25 | — | — | CN | disclosed |