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 | |
|---|---|---|---|---|
| ▸ | CHRNB4 known ✓ | P30926 | 1/20 | 0.43 |
| ▸ | CHRNA3 known ✓ | P32297 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.43 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.43 |
| ▸ | GALR3 | O60755 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
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 SCHEMBL571656 | 0.98 | ALDH1A1 (0.43) | ALDH1A1TSHRCHRM5CHRM1CHRM3 | |
| Acetic Acid SCHEMBL18421897 | 0.96 | ALDH1A1 (0.41) | ALDH1A1TSHRCHRM5CHRM1CHRM3 | |
| Acetic Acid SCHEMBL10928939 | 0.93 | ALDH1A1 (0.50) | ALDH1A1TSHRCHRM5CHRM1CHRM3 | |
| Acetic Acid SCHEMBL2593864 | 0.93 | ALDH1A1 (0.50) | ALDH1A1TSHRCHRM5CHRM1CHRM3 | |
| Acetic Acid SCHEMBL15536948 | 0.92 | ALDH1A1 (0.42) | ALDH1A1TSHRCHRM5CHRM1CHRM3 | |
| Acetic Acid SCHEMBL10486951 | 0.90 | ALDH1A1 (0.48) | ALDH1A1TSHRCHRM5CHRM1CHRM3 | |
| Acetic Acid SCHEMBL28687059 | 0.88 | ALDH1A1 (0.43) | ALDH1A1TSHRCHRM5CHRM1CHRM3 | |
| Ethylamine SCHEMBL8850215 | 0.88 | ALDH1A1 (0.52) | ALDH1A1TSHRCHRM5CHRM1CHRM3 | |
| Methylamine SCHEMBL9247976 | 0.87 | — | — | |
| SCHEMBL3070371 | 0.87 | ALDH1A1 (0.55) | ALDH1A1TSHRCHRM5CHRM1CHRM3 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3770196-A1 | COSMETIC INGREDIENT USING CORE-CORONA POLYMER PARTICLES AND OIL-IN-WATER EMULSION COSMETIC | Shiseido Company, Ltd. (JP) | 2021-01-27 | — | — | EP | disclosed |
| EP-2047841-B1 | HAIR DYE COMPOSITION | KAO CORP (JP) | 2016-10-26 | — | — | EP | disclosed |
| US-7753965-B2 | Hair dye composition | KAO CORPORATION (JP) | 2010-07-13 | — | — | US | disclosed |
| US-20100000564-A1 | HAIR DYE COMPOSITION | KAO CORPORATION (JP) | 2010-01-07 | — | — | US | disclosed |
| EP-2047841-A1 | HAIR DYE COMPOSITION | Kao Corporation (JP) | 2009-04-15 | — | — | EP | disclosed |
| EP-1689494-A1 | AGENT FOR SKIN EXTERNAL USE CONTAINING SALT OF ASCORBIC ACID DERIVATIVE, METHOD FOR STABILIZING THE AGENT FOR SKIN EXTERNAL USE, AND STABILIZER | Showa Denko K.K. (JP) | 2006-08-16 | — | — | EP | disclosed |
| WO-2005034903-A1 | AGENT FOR SKIN EXTERNAL USE CONTAINING SALT OF ASCORBIC ACID DERIVATIVE, METHOD FOR STABILIZING THE AGENT FOR SKIN EXTERNAL USE, AND STABILIZER | SHOWA DENKO K.K. (JP) | 2005-04-21 | — | — | 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-20100000564-A1 | HAIR DYE COMPOSITION | COXFA4L2, TYR, PAH | CHRNB4 3852/4885CHRNA3 4068/4885ALDH1A1 13/4885 |
“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.