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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 | P35462 | 8/20 | 0.64 |
| ▸ | HTR7 | P34969 | 8/20 | 0.64 |
| ▸ | HTR1A | P08908 | 7/20 | 0.64 |
| ▸ | DRD2 | P14416 | 7/20 | 0.64 |
| ▸ | HTR2B | P41595 | 6/20 | 0.64 |
| ▸ | HTR2A | P28223 | 5/20 | 0.64 |
| ▸ | HRH1 | P35367 | 5/20 | 0.64 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.64 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.58 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.58 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.58 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.58 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | MAOB | P27338 | 1/20 | 0.54 |
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 SCHEMBL6524206 | 0.91 | DRD2 (0.59) | DRD3HTR7HTR1ADRD2HTR2B | |
| SCHEMBL1828054 | 0.91 | HTR1A (0.61) | DRD3HTR7HTR1ADRD2HTR2B | |
| SCHEMBL30305062 | 0.91 | HTR1A (0.61) | DRD3HTR7HTR1ADRD2HTR2B | |
| Bromide SCHEMBL6523006 | 0.89 | HTR1A (0.60) | DRD3HTR7HTR1ADRD2HTR2B | |
| Hydrochloric Acid SCHEMBL22527658 | 0.89 | HTR1A (0.60) | DRD3HTR7HTR1ADRD2HTR2B | |
| Hydrochloric Acid SCHEMBL30541930 | 0.89 | HTR1A (0.60) | DRD3HTR7HTR1ADRD2HTR2B | |
| SCHEMBL6526310 | 0.85 | HTR7 (0.65) | DRD3HTR7HTR1ADRD2HTR2B | |
| SCHEMBL8687907 | 0.82 | HTR7 (0.76) | DRD3HTR7HTR1ADRD2HTR2B | |
| SCHEMBL1193409 | 0.81 | HDAC3 (0.59) | DRD3HTR7HTR1ADRD2HTR2B | |
| SCHEMBL30381429 | 0.81 | HDAC3 (0.59) | DRD3HTR7HTR1ADRD2HTR2B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2274056-B1 | BLEACHING AGENT COMPRISING CATIONIC 3,4-DIHYDROISOCHINOLINIUM DERIVATIVES, SPECIFIC ALKANOLAMINES AND HYDROGEN PEROXYDE | HENKEL AG & CO KGAA (DE) | 2012-10-03 | — | — | EP | claimed |
| US-20110056508-A1 | BLEACHING AGENT COMPRISING CATIONIC 3,4-DIHYDROISOQUINOLINE DERIVATIVES, SPECIAL ALKANOL AMINES AND HYDROGEN PEROXIDE | GROSS WIBKE | 2011-03-10 | — | — | US | claimed |
| US-20110056508-A1 | BLEACHING AGENT COMPRISING CATIONIC 3,4-DIHYDROISOQUINOLINE DERIVATIVES, SPECIAL ALKANOL AMINES AND HYDROGEN PEROXIDE | GROSS WIBKE | 2011-03-10 | — | — | US | 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-20110056508-A1 | BLEACHING AGENT COMPRISING CATIONIC 3,4-DIHYDROISOQUINOLINE DERIVATIVES, SPECIAL ALKANOL AMINES AND HYDROGEN PEROXIDE | KRT18, H1-3, H1-2 | DRD3 466/4885HTR7 379/4885HTR1A 715/4885 |
“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.