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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.38 |
| ▸ | SCN5A known ✓ | Q14524 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | MCL1 | Q07820 | 4/20 | 0.41 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTR1D | P28221 | 1/20 | 0.35 |
| ▸ | HTR1B | P28222 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL7711008 | 0.90 | CSNK2A1 (0.44) | TRPA1ATMMCL1CSNK2A1GAA | |
| SCHEMBL207038 | 0.87 | TRPA1 (0.57) | TRPA1ATMALDH1A1HTTESR1 | |
| SCHEMBL30388902 | 0.87 | TRPA1 (0.57) | TRPA1ATMALDH1A1HTTESR1 | |
| Acetic Acid SCHEMBL28703177 | 0.87 | FFAR3 (0.44) | TRPA1ATMMCL1ALDH1A1MAPT | |
| Ammonia Solution, Strong SCHEMBL28109578 | 0.85 | TRPA1 (0.55) | TRPA1ATMGAAALDH1A1ESR1 | |
| Methane SCHEMBL27481984 | 0.85 | TRPA1 (0.55) | TRPA1ATMALDH1A1HTTESR1 | |
| Ammonia Solution, Strong SCHEMBL1065150 | 0.85 | TRPA1 (0.55) | TRPA1ATMGAAALDH1A1ESR1 | |
| Phosphine SCHEMBL1067227 | 0.85 | TRPA1 (0.55) | TRPA1ATMALDH1A1HTTESR1 | |
| Hydrochloric Acid SCHEMBL6039932 | 0.82 | TRPA1 (0.52) | TRPA1ATMALDH1A1HTTESR1 | |
| Formic Acid SCHEMBL9009952 | 0.81 | TRPA1 (0.46) | TRPA1ATMMCL1GAAALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1268390-B1 | A PROCESS FOR PREPARING TRIMETHYLHYDROQUINONE DIACETATE AND TRIMETHYLHYDROQUINONE | DEGUSSA (DE) | 2004-02-18 | — | — | EP | disclosed |
| EP-1268390-A1 | A PROCESS FOR PREPARING TRIMETHYLHYDROQUINONE DIACETATE AND TRIMETHYLHYDROQUINONE | Degussa AG (DE) | 2003-01-02 | — | — | EP | disclosed |
| US-6350897-B2 | OXIDATION OF 2,2,6-TRIMETHYLCYCLOHEXANE-1,4-DIONE; SULFONATION; ACYLATION | DEGUSSA AG (DE) | 2002-02-26 | — | — | US | disclosed |
| US-20020004619-A1 | Process for preparing trimethylhydroquinone diacetate and trimethylhydroquinone | DEGUSSA AG (DE) | 2002-01-10 | — | — | US | disclosed |
| WO-2001077058-A1 | A PROCESS FOR PREPARING TRIMETHYLHYDROQUINONE DIACETATE AND TRIMETHYLHYDROQUINONE | DEGUSSA AG (DE) | 2001-10-18 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20020004619-A1 | Process for preparing trimethylhydroquinone diacetate and trimethylhydroquinone | SULT2A1, MSMO1, TET1 | ESR1 1767/4885ESR2 2573/4885SCN5A 2192/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.