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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | MGAM | O43451 | 1/20 | 0.50 |
| ▸ | SI | P14410 | 1/20 | 0.50 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CYP4F2 | P78329 | 3/20 | 0.46 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL92709 | 0.95 | GAA (0.55) | GAAMGAMSIMGAM2CYP1A2 | |
| Ethylene Glycol SCHEMBL19921004 | 0.93 | CYP4F2 (0.48) | GAAMGAMSIMGAM2CYP1A2 | |
| Ethylene Glycol SCHEMBL11418369 | 0.93 | CYP4F2 (0.48) | GAAMGAMSIMGAM2CYP1A2 | |
| SCHEMBL28158933 | 0.93 | GAA (0.52) | GAAMGAMSIMGAM2CYP1A2 | |
| SCHEMBL11699403 | 0.93 | GAA (0.52) | GAAMGAMSIMGAM2CYP1A2 | |
| Water SCHEMBL9797230 | 0.93 | GAA (0.52) | GAAMGAMSIMGAM2CYP1A2 | |
| Acetic Acid SCHEMBL1326418 | 0.91 | GAA (0.50) | GAAMGAMSIMGAM2CYP1A2 | |
| Acetic Acid SCHEMBL11060538 | 0.91 | GAA (0.50) | GAAMGAMSIMGAM2CYP1A2 | |
| Acetic Acid SCHEMBL4559194 | 0.91 | GAA (0.50) | GAAMGAMSIMGAM2CYP1A2 | |
| Acetic Acid SCHEMBL9524279 | 0.91 | GAA (0.50) | GAAMGAMSIMGAM2CYP1A2 |
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-2403821-A2 | METHOD FOR THE PREPARATION OF ALKYL LEVULINATES | Segetis, Inc. (US) | 2012-01-11 | — | — | EP | disclosed |
| WO-2010102203-A2 | METHOD FOR THE PREPARATION OF ALKYL LEVULINATES | SEGETIS, INC. (US) | 2010-09-10 | — | — | WO | disclosed |