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 | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 3/20 | 0.66 |
| ▸ | GABBR1 | Q9UBS5 | 3/20 | 0.66 |
| ▸ | MAPT | P10636 | 1/20 | 0.62 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | FNTA | P49354 | 4/20 | 0.49 |
| ▸ | FNTB | P49356 | 4/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | APEX1 | P27695 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL503819 | 0.91 | GABBR2 (0.76) | GABBR2GABBR1MAPTMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL7092228 | 0.89 | GABBR2 (0.73) | GABBR2GABBR1MAPTMEN1KMT2A | |
| SCHEMBL6734410 | 0.89 | GABBR2 (0.73) | GABBR2GABBR1MAPTMEN1KMT2A | |
| SCHEMBL240789 | 0.88 | GABBR2 (0.66) | GABBR2GABBR1MAPTMEN1KMT2A | |
| SCHEMBL6174106 | 0.88 | GABBR2 (0.66) | GABBR2GABBR1MAPTMEN1KMT2A | |
| SCHEMBL2484805 | 0.88 | GABBR2 (0.66) | GABBR2GABBR1MAPTMEN1KMT2A | |
| SCHEMBL9857550 | 0.86 | GABBR2 (0.63) | GABBR2GABBR1MAPTMEN1KMT2A | |
| SCHEMBL3728800 | 0.85 | GABBR2 (0.68) | GABBR2GABBR1MAPTMEN1KMT2A | |
| SCHEMBL2292396 | 0.84 | GABBR2 (0.61) | GABBR2GABBR1MAPTMEN1KMT2A | |
| SCHEMBL28346014 | 0.84 | GABBR2 (0.61) | GABBR2GABBR1MAPTMEN1KMT2A |
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-112794862-A | Synthesis and anti-tumor application of long-carbon-chain phenyl dicarboxylic acid based binuclear copper complex | 六盘水师范学院 | 2021-05-14 | — | — | CN | disclosed |