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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.35 |
| ▸ | CA4 | P22748 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 3/20 | 0.32 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL305429 | 0.91 | FFAR3 (0.41) | ALDH1A1TSHRFFAR3CA4TDP1 | |
| SCHEMBL2139837 | 0.88 | FFAR3 (0.39) | ALDH1A1TSHRFFAR3CA4TDP1 | |
| SCHEMBL30561221 | 0.88 | FFAR3 (0.39) | ALDH1A1TSHRFFAR3CA4TDP1 | |
| SCHEMBL135448 | 0.88 | FFAR3 (0.39) | ALDH1A1TSHRFFAR3CA4TDP1 | |
| Zinc Ion SCHEMBL138684 | 0.88 | FFAR3 (0.39) | ALDH1A1TSHRFFAR3CA4TDP1 | |
| Zinc Ion SCHEMBL138682 | 0.88 | FFAR3 (0.39) | ALDH1A1TSHRFFAR3CA4TDP1 | |
| SCHEMBL2139831 | 0.88 | FFAR3 (0.39) | ALDH1A1TSHRFFAR3CA4TDP1 | |
| SCHEMBL304062 | 0.88 | CA4 (0.44) | ALDH1A1TSHRFFAR3CA4TDP1 | |
| SCHEMBL135446 | 0.88 | FFAR3 (0.39) | ALDH1A1TSHRFFAR3CA4TDP1 | |
| SCHEMBL447528 | 0.88 | CA4 (0.44) | ALDH1A1TSHRFFAR3CA4TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4996350-A | Solvent-free chlorination of dialkyl maleate; herbicide intermediates | AMERICAN CYANAMID COMPANY (US) | 1991-02-26 | — | — | US | disclosed |