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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 2/20 | 0.44 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.38 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.38 |
| ▸ | GRIK3 | Q13003 | 1/20 | 0.38 |
| ▸ | GRIK5 | Q16478 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | FNTA | P49354 | 2/20 | 0.34 |
| ▸ | FNTB | P49356 | 2/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.34 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9622192 | 0.94 | FFAR3 (0.50) | FFAR3GRIK1GRIA4GRIK3GRIK5 | |
| SCHEMBL101165 | 0.90 | FFAR3 (0.53) | FFAR3GRIK1GRIA4GRIK3GRIK5 | |
| SCHEMBL42603 | 0.90 | FFAR3 (0.53) | FFAR3GRIK1GRIA4GRIK3GRIK5 | |
| SCHEMBL42601 | 0.90 | FFAR3 (0.53) | FFAR3GRIK1GRIA4GRIK3GRIK5 | |
| Potassium SCHEMBL305430 | 0.87 | FFAR3 (0.50) | FFAR3GRIK1GRIA4GRIK3GRIK5 | |
| SCHEMBL304061 | 0.87 | FFAR3 (0.50) | FFAR3GRIK1GRIA4GRIK3GRIK5 | |
| SCHEMBL27684567 | 0.87 | FFAR3 (0.50) | FFAR3GRIK1GRIA4GRIK3GRIK5 | |
| SCHEMBL304063 | 0.87 | FFAR3 (0.50) | FFAR3GRIK1GRIA4GRIK3GRIK5 | |
| SCHEMBL305428 | 0.87 | FFAR3 (0.50) | FFAR3GRIK1GRIA4GRIK3GRIK5 | |
| SCHEMBL2139834 | 0.87 | FFAR3 (0.50) | FFAR3GRIK1GRIA4GRIK3GRIK5 |
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 |