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 | 2/20 | 0.84 |
| ▸ | CES2 | O00748 | 1/20 | 0.57 |
| ▸ | CES1 | P23141 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.55 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.55 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | GSK3B | P49841 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.48 |
| ▸ | HTT | P42858 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | MITF | O75030 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.47 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.47 |
| ▸ | WNT3A | P56704 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Ethylene Glycol SCHEMBL9304403 | 0.92 | ALDH1A1 (0.84) | ALDH1A1CES2CES1LMNAL3MBTL1 | |
| Butane SCHEMBL27884583 | 0.92 | ALDH1A1 (0.84) | ALDH1A1CES2CES1LMNAL3MBTL1 | |
| SCHEMBL55127 | 0.92 | — | — | |
| Methyl Alcohol SCHEMBL27687010 | 0.92 | ALDH1A1 (1.00) | ALDH1A1CES2CES1LMNAL3MBTL1 | |
| SCHEMBL29358072 | 0.92 | — | — | |
| SCHEMBL30311517 | 0.90 | ALDH1A1 (0.95) | ALDH1A1CES2CES1LMNAL3MBTL1 | |
| Bromide SCHEMBL9617826 | 0.90 | ALDH1A1 (0.95) | ALDH1A1CES2CES1LMNAL3MBTL1 | |
| SCHEMBL27414956 | 0.90 | ALDH1A1 (0.95) | ALDH1A1CES2CES1LMNAL3MBTL1 | |
| Hydrochloric Acid SCHEMBL7049723 | 0.90 | ALDH1A1 (0.95) | ALDH1A1CES2CES1LMNAL3MBTL1 | |
| Hydrogen Sulfide SCHEMBL27781949 | 0.90 | ALDH1A1 (0.95) | ALDH1A1CES2CES1LMNAL3MBTL1 |
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-108276383-A | A kind of fluorescence probe and preparation method thereof of identification iodide ion and recognition methods | 贵州大学 | 2018-07-13 | — | — | CN | claimed |