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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 6/20 | 0.39 |
| ▸ | GAA | P10253 | 5/20 | 0.39 |
| ▸ | PRKCI | P41743 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | CASP1 | P29466 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL632670 | 0.85 | — | — | |
| SCHEMBL29407502 | 0.85 | — | — | |
| Methane SCHEMBL28284965 | 0.83 | MAPT (0.48) | MAPTGAAACHEALDH1A1KDM4E | |
| Alcohol SCHEMBL10901320 | 0.74 | MEN1 (0.57) | MAPTGAAACHEALDH1A1CASP1 | |
| SCHEMBL11356453 | 0.73 | PRKCI (0.42) | MAPTGAAPRKCIACHEALDH1A1 | |
| SCHEMBL3898990 | 0.73 | ACHE (0.39) | MAPTGAAPRKCIACHEALDH1A1 | |
| SCHEMBL14267850 | 0.73 | MAPT (0.39) | MAPTGAAPRKCIACHEALDH1A1 | |
| SCHEMBL30599142 | 0.73 | MAPT (0.41) | MAPTGAAPRKCIACHEALDH1A1 | |
| SCHEMBL1684387 | 0.73 | MAPT (0.41) | MAPTGAAPRKCIACHEALDH1A1 | |
| SCHEMBL11869970 | 0.72 | PHLPP2 (0.39) | GAAALDH1A1KDM4ECASP1MEN1 |
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-106543012-A | A kind of synthetic method of cold labeling beta receptor agonist | 上海化工研究院 | 2017-03-29 | — | — | CN | claimed |