Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | SNCA | P37840 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4190453 | 0.95 | ALDH1A1 (0.46) | ALDH1A1HTTMAPTLMNAKDM4E | |
| Acetonitrile SCHEMBL4629574 | 0.87 | GLA (0.45) | ALDH1A1HTTMAPTLMNAKDM4E | |
| Acetone SCHEMBL4283217 | 0.85 | GAA (0.54) | ALDH1A1HTTMAPTLMNAKDM4E | |
| SCHEMBL5176629 | 0.84 | POLB (0.38) | ALDH1A1HTTMAPTLMNAKDM4E | |
| SCHEMBL5176619 | 0.84 | POLB (0.38) | ALDH1A1HTTMAPTLMNAKDM4E | |
| Acetone SCHEMBL2978474 | 0.83 | GAA (0.52) | ALDH1A1HTTMAPTLMNAKDM4E | |
| SCHEMBL6491557 | 0.82 | ALDH1A1 (0.49) | ALDH1A1HTTMAPTLMNAKDM4E | |
| SCHEMBL593976 | 0.82 | ALDH1A1 (0.47) | ALDH1A1HTTMAPTLMNAKDM4E | |
| Propane SCHEMBL3563886 | 0.81 | GAA (0.54) | ALDH1A1HTTMAPTLMNAKDM4E | |
| Trimethylammonium SCHEMBL3326977 | 0.81 | GAA (0.54) | ALDH1A1HTTMAPTLMNAKDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090289221-A1 | Use Of Aminoacetones And Salts Thereof As Bleaching Boosters For Peroxygen Compounds | CLARIANT FINANCE (BVI) LIMITED (VG) | 2009-11-26 | — | — | US | disclosed |
| EP-2049643-A1 | USE OF AMINOACETONES AND SALTS THEREOF AS BLEACHING BOOSTERS FOR PEROXYGEN COMPOUNDS | Clariant Finance (BVI) Limited (VG) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008014965-A1 | USE OF AMINOACETONES AND SALTS THEREOF AS BLEACHING BOOSTERS FOR PEROXYGEN COMPOUNDS | CLARIANT FINANCE (BVI) LIMITED (VG) | 2008-02-07 | — | — | WO | disclosed |