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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 5/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.32 |
| ▸ | LMNA | P02545 | 4/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.32 |
| ▸ | MAPT | P10636 | 4/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.32 |
| ▸ | TP53 | P04637 | 3/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 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 | |
|---|---|---|---|---|
| Propane SCHEMBL28347132 | 0.90 | GABRA1 (0.41) | ALDH1A1TSHRGABRA1GABRB2CNR1 | |
| Propanol SCHEMBL28957771 | 0.88 | GABRA1 (0.36) | ALDH1A1TSHRGABRA1GABRB2CNR1 | |
| Ethylamine SCHEMBL3649525 | 0.84 | GABRA1 (0.38) | ALDH1A1TSHRGABRA1GABRB2CNR1 | |
| Hydrogen Sulfide SCHEMBL28630719 | 0.78 | — | — | |
| Methane SCHEMBL28377284 | 0.78 | — | — | |
| Propionic Acid SCHEMBL9738132 | 0.77 | FFAR3 (0.53) | ALDH1A1GABRA1GABRB2ESR1ESR2 | |
| SCHEMBL28691957 | 0.73 | GABRA1 (0.41) | ALDH1A1TSHRGABRA1GABRB2ESR1 | |
| SCHEMBL28548212 | 0.72 | MAOA (0.35) | ALDH1A1GABRA1GABRB2ESR1ESR2 | |
| SCHEMBL8166485 | 0.72 | ALDH1A1 (0.32) | ALDH1A1LMNACYP3A4MAPTALOX15 | |
| Hydroquinone SCHEMBL29253563 | 0.72 | LMNA (0.61) | ALDH1A1TSHRESR1ESR2LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020259569-A1 | AN ENGINEERED MICROBIAL STRAIN FOR HYDROXYTYROSOL PRODUCTION | MAPLE BIO (NANJING) CO., LTD. (CN) | 2020-12-30 | — | — | WO | disclosed |
| WO-2013034119-A1 | 4-METHYLCATECHOL DERIVATIVES UND USE THEREOF | Thanares GmbH (DE) | 2013-03-14 | — | — | WO | disclosed |
| WO-2005003037-A1 | A METHOD FOR THE TREATMENT OF OLIVE MILL WASTE WATERS | EMERGO (CYPRUS) LIMITED (CY) | 2005-01-13 | — | — | WO | disclosed |