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 | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.33 |
| ▸ | MEN1 | O00255 | 5/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | APOBEC3A | P31941 | 2/20 | 0.33 |
| ▸ | APOBEC3G | Q9HC16 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1723901 | 0.95 | CYP2D6 (0.40) | CYP2C19CYP2D6SMN1; SMN2KMT2AALDH1A1 | |
| Bromide SCHEMBL1712392 | 0.93 | CYP2D6 (0.39) | CYP2C19CYP2D6SMN1; SMN2KMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL1716730 | 0.93 | CYP2D6 (0.39) | CYP2C19CYP2D6SMN1; SMN2KMT2AALDH1A1 | |
| Sulfuric Acid SCHEMBL2182781 | 0.89 | CYP2C19 (0.35) | CYP2C19CYP2D6SMN1; SMN2KMT2AALDH1A1 | |
| Sulfuric Acid SCHEMBL291858 | 0.89 | CYP2D6 (0.35) | CYP2C19CYP2D6KMT2AALDH1A1MEN1 | |
| Acetic Acid SCHEMBL1716935 | 0.87 | CYP2C19 (0.36) | CYP2C19CYP2D6KMT2AALDH1A1MEN1 | |
| SCHEMBL290641 | 0.85 | CYP2D6 (0.35) | CYP2C19CYP2D6SMN1; SMN2GAAKMT2A | |
| Acetic Acid SCHEMBL1712859 | 0.84 | CYP2D6 (0.38) | CYP2C19CYP2D6SMN1; SMN2GAAKMT2A | |
| SCHEMBL19036931 | 0.84 | CYP2D6 (0.40) | CYP2C19CYP2D6SMN1; SMN2KMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL19031341 | 0.82 | CYP2D6 (0.39) | CYP2C19CYP2D6SMN1; SMN2KMT2AALDH1A1 |
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-2320854-B1 | BLEACHING AGENT COMPRISING 2-ACYLPYRIDINIUM DERIVATIVES | HENKEL AG & CO KGAA (DE) | 2012-01-18 | — | — | EP | disclosed |
| US-8034122-B2 | Bleaching agent comprising 2-acylpyridinium derivatives | HENKEL AG & CO. KGAA (DE) | 2011-10-11 | — | — | US | disclosed |
| US-20110162671-A1 | BLEACHING AGENT COMPRISING 2-ACYLPYRIDINIUM DERIVATIVES | HENKEL AG & CO. KGAA (DE) | 2011-07-07 | — | — | US | disclosed |
| EP-2320854-A2 | BLEACHING AGENT COMPRISING 2-ACYLPYRIDINIUM DERIVATIVES | Henkel AG & Co. KGaA (DE) | 2011-05-18 | — | — | EP | disclosed |
| WO-2010029006-A2 | BLEACHING AGENT COMPRISING 2-ACYLPYRIDINIUM DERIVATIVES | HENKEL AG & CO. KGAA (DE) | 2010-03-18 | — | — | 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-20110162671-A1 | BLEACHING AGENT COMPRISING 2-ACYLPYRIDINIUM DERIVATIVES | KRT18, CBR3, ACOX3 | CYP2C19 1434/4885CYP2D6 758/4885SMN1; SMN2 3229/4885 |
“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.