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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.41 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | CYP46A1 | Q9Y6A2 | 5/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.42 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.42 |
| ▸ | MAPK12 | P53778 | 2/20 | 0.42 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.41 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.40 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16986181 | 0.92 | SIGMAR1 (0.54) | SIGMAR1MAPK14MAPK13MAPK12MAPK11 | |
| Acetic Acid SCHEMBL16986148 | 0.82 | DRD2 (0.52) | SIGMAR1ADRA2AADRA2BKCNH2NPC1 | |
| SCHEMBL16986152 | 0.74 | DRD2 (0.56) | SIGMAR1ADRA2AADRA2BKCNH2NPC1 | |
| SCHEMBL16986193 | 0.73 | CYP46A1 (0.37) | SIGMAR1CYP46A1ALDH1A1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL6976894 | 0.71 | HRH3 (0.36) | SIGMAR1CYP46A1MAPK14MAPK13MAPK12 | |
| SCHEMBL14874683 | 0.69 | CYP1A2 (0.40) | CYP46A1MAPK14MAPK11CSNK1DALDH1A1 | |
| SCHEMBL8676492 | 0.69 | CYP1A2 (0.39) | CYP46A1ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL16986122 | 0.69 | MPO (0.47) | SIGMAR1MAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL16986282 | 0.69 | SIGMAR1 (0.44) | SIGMAR1MAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL6896193 | 0.68 | CTSS (0.41) | SIGMAR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150266864-A1 | HETEROAROMATIC COMPOUNDS, METHOD FOR PREPARING THE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, USES AND METHOD FOR TREATING ACUTE AND CHRONIC PAIN | CRISTÁLIA PRODUTOS QUÍMICOS FARMACÊUTICOS LTDA (BR) | 2015-09-24 | — | — | US | disclosed |
| EP-2905278-A1 | HETEROAROMATIC COMPOUNDS, METHOD FOR PREPARING THE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, USES AND METHOD FOR TREATING ACUTE AND CHRONIC PAIN | Cristália Produtos Químicos Farmacêuticos LTDA. (BR) | 2015-08-12 | — | — | EP | 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-20150266864-A1 | HETEROAROMATIC COMPOUNDS, METHOD FOR PREPARING THE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, USES AND METHOD FOR TREATING ACUTE AND CHRONIC PAIN | TRPV1, AP1G1, INA | ADRA2A 283/4885ADRA2B 521/4885SIGMAR1 299/4885 |
“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.