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 | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.53 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HTR7 | P34969 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.45 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.45 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.45 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | NOS3 | P29474 | 2/20 | 0.43 |
| ▸ | NOS1 | P29475 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Fluorobenzene SCHEMBL2006171 | 0.87 | NFE2L2 (0.46) | ACHETRPA1ALDH1A1TSHRHTR7 | |
| Alcohol SCHEMBL27513604 | 0.85 | MAOB (0.48) | ACHETRPA1ALDH1A1TSHRLMNA | |
| Methyl Alcohol SCHEMBL27383192 | 0.84 | ACHE (0.60) | ACHETRPA1IDO1ORAI1ORAI2 | |
| Ethylamine SCHEMBL27972784 | 0.81 | LOXL2 (0.58) | ACHELMNAIDO1LOXL2CA1 | |
| Ethylamine SCHEMBL27766150 | 0.79 | LOXL2 (0.55) | ACHELMNAIDO1LOXL2CA1 | |
| SCHEMBL28195018 | 0.78 | TDP1 (0.56) | ACHEALDH1A1HTR7LMNACES2 | |
| SCHEMBL13499 | 0.78 | — | — | |
| Alcohol SCHEMBL7141746 | 0.76 | CES2 (0.46) | TRPA1ALDH1A1TSHRLMNACES2 | |
| SCHEMBL131869 | 0.76 | — | — | |
| SCHEMBL23462 | 0.76 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108752218-A | A kind of variation route prepared by Du Lutewei key intermediates 2,4- difluorobenzylamines | 浙江沙星科技有限公司 | 2018-11-06 | — | — | CN | claimed |
| CN-105039431-A | Method for producing chirality difluorobenzene ethanol through cells | UNIV QINGDAO SCIENCE & TECHNOLOGY | 2015-11-11 | — | — | CN | claimed |
| CN-105039431-A | Method for producing chirality difluorobenzene ethanol through cells | UNIV QINGDAO SCIENCE & TECHNOLOGY | 2015-11-11 | — | — | CN | disclosed |
| CN-105039431-A | Method for producing chirality difluorobenzene ethanol through cells | UNIV QINGDAO SCIENCE & TECHNOLOGY | 2015-11-11 | — | — | CN | disclosed |