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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL385363 | 0.93 | SMN1; SMN2 (0.41) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL22144904 | 0.93 | SMN1; SMN2 (0.41) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL2821617 | 0.86 | ALDH1A1 (0.39) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL22144882 | 0.84 | CA1 (0.47) | TDP1ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL28241401 | 0.84 | SMN1; SMN2 (0.37) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| Acetic Acid SCHEMBL28431267 | 0.83 | MAPT (0.41) | TDP1ALDH1A1MEN1KMT2AACE2 | |
| SCHEMBL28886292 | 0.83 | TDP1 (0.41) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL14935428 | 0.82 | NAAA (0.39) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL11665738 | 0.80 | SMN1; SMN2 (0.37) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL21337895 | 0.80 | SMN1; SMN2 (0.37) | TDP1CHRM1AKR1A1CHRM3HTR2A |
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-111348993-A | Process for preparing 4-methyl-5-nonanone and 4-methyl-5-nonanol | 信越化学工业株式会社 | 2020-06-30 | — | — | CN | disclosed |