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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | TSHR | P16473 | 3/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL3276743 | 1.00 | — | — | |
| Propane SCHEMBL7947279 | 0.84 | — | — | |
| Alcohol SCHEMBL27891064 | 0.82 | — | — | |
| Ethylene Glycol SCHEMBL3427076 | 0.80 | TSHR (0.50) | ALDH1A1TSHRTDP1HSD17B10TP53 | |
| Butane SCHEMBL11833863 | 0.80 | TDP1 (0.40) | ALDH1A1TSHRTDP1HSD17B10TP53 | |
| Ethylene Glycol SCHEMBL3493119 | 0.80 | TSHR (0.50) | ALDH1A1TSHRTDP1HSD17B10TP53 | |
| Ethylene Glycol SCHEMBL3863316 | 0.80 | TSHR (0.50) | ALDH1A1TSHRTDP1HSD17B10TP53 | |
| Propane SCHEMBL9818020 | 0.80 | — | — | |
| Ethylene Glycol SCHEMBL15013924 | 0.80 | TSHR (0.50) | ALDH1A1TSHRTDP1HSD17B10TP53 | |
| Ethylene Glycol SCHEMBL42568 | 0.80 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105343915-B | A kind of natural air cleaning agent and preparation method thereof | 中国计量大学 | 2017-12-05 | — | — | CN | disclosed |
| CN-105343915-A | A natural air cleaning agent and a preparing method thereof | UNIV JILIANG CHINA | 2016-02-24 | — | — | CN | disclosed |