Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. 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 | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 9/20 | 0.44 |
| ▸ | FLT3 | P36888 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CCR1 | P32246 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 2/20 | 0.38 |
| ▸ | BRAF | P15056 | 2/20 | 0.38 |
| ▸ | KDR | P35968 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.37 |
| ▸ | MAPK12 | P53778 | 2/20 | 0.37 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.37 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7221298 | 0.81 | MAPK14 (0.53) | MAPK14FLT3LMNANPSR1CCR1 | |
| SCHEMBL7215277 | 0.76 | MAPK14 (0.54) | MAPK14FLT3CCR1ALDH1A1MAPT | |
| SCHEMBL7220550 | 0.76 | MAPK14 (0.48) | MAPK14FLT3CCR1ALDH1A1MAPK13 | |
| SCHEMBL27637421 | 0.73 | FLT3 (0.48) | MAPK14FLT3LMNANPSR1CCR1 | |
| Lithium Ion SCHEMBL23410466 | 0.72 | MAPK14 (0.45) | MAPK14FLT3LMNANPSR1CCR1 | |
| SCHEMBL23410393 | 0.72 | MAPK14 (0.46) | MAPK14NPSR1ALDH1A1PTGS2CYP17A1 | |
| SCHEMBL15750441 | 0.69 | LMNA (0.58) | MAPK14LMNANPSR1ALDH1A1MAPT | |
| Acetic Acid SCHEMBL29241773 | 0.68 | LTA4H (0.56) | MAPK14ALDH1A1PTGS2SMN1; SMN2 | |
| SCHEMBL25043404 | 0.67 | MAPK14 (0.43) | MAPK14FLT3LMNACCR1ALDH1A1 | |
| Acetic Acid SCHEMBL28878614 | 0.67 | MAPK14 (0.48) | MAPK14MAPK13MAPK12MAPK11 |
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-115151256-A | Novel compounds for the treatment of diseases associated with DUX expression | FACIO知识产权有限公司 | 2022-10-04 | — | — | CN | disclosed |