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 | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Ethane SCHEMBL1070226 | 0.93 | HTR2A (0.56) | HTR2AL3MBTL1ALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL59671 | 0.93 | HTR2A (0.60) | HTR2AL3MBTL1ALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL29367221 | 0.93 | HTR2A (0.60) | HTR2AL3MBTL1ALDH1A1HSD17B10CYP1A2 | |
| Methane SCHEMBL27842569 | 0.91 | HTR2A (0.58) | HTR2AL3MBTL1ALDH1A1HSD17B10CYP1A2 | |
| Acetic Acid SCHEMBL2222014 | 0.86 | ALDH1A1 (0.52) | HTR2AL3MBTL1ALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL1070224 | 0.84 | CYP1A2 (0.52) | HTR2AL3MBTL1HSD17B10CYP1A2KDM4E | |
| SCHEMBL2400428 | 0.83 | HTR2A (0.46) | HTR2AL3MBTL1ALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL1072490 | 0.83 | HTR2A (0.46) | HTR2AL3MBTL1ALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL9064167 | 0.82 | HTR2A (0.48) | HTR2AL3MBTL1ALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL17417163 | 0.80 | GPR35 (0.47) | HTR2AL3MBTL1ALDH1A1HSD17B10CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011130737-A2 | MATERIALS AND METHODS FOR CAPILLARY MICROEXTRACTION IN COMBINATION WITH HIGH-PERFORMANCE LIQUID CHROMATOGRAPHY | UNIVERSITY OF SOUTH FLORIDA (US) | 2011-10-20 | — | — | WO | disclosed |