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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 17/20 | 0.56 |
| ▸ | ADRB1 | P08588 | 8/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | DRD2 | P14416 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.52 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
| ▸ | HTR2C | P28335 | 1/20 | 0.52 |
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 SCHEMBL99495 | 1.00 | ADRB2 (0.56) | ADRB2ADRB1KDM4EMEN1LMNA | |
| SCHEMBL20285631 | 0.93 | ADRB2 (0.61) | ADRB2ADRB1KDM4EMEN1LMNA | |
| SCHEMBL1310646 | 0.93 | ADRB2 (0.61) | ADRB2ADRB1KDM4EMEN1LMNA | |
| SCHEMBL1310641 | 0.93 | ADRB2 (0.61) | ADRB2ADRB1KDM4EMEN1LMNA | |
| Hydrochloric Acid SCHEMBL14166246 | 0.92 | ADRB2 (0.60) | ADRB2ADRB1KDM4EMEN1LMNA | |
| Hydrochloric Acid SCHEMBL5681928 | 0.92 | ADRB2 (0.60) | ADRB2ADRB1KDM4EMEN1LMNA | |
| Fluoride SCHEMBL28425860 | 0.92 | ADRB2 (0.60) | ADRB2ADRB1KDM4EMEN1LMNA | |
| SCHEMBL14290919 | 0.84 | ADRB2 (0.70) | ADRB2ADRB1KDM4EMEN1LMNA | |
| SCHEMBL14681030 | 0.82 | ADRB2 (0.61) | ADRB2ADRB1KDM4EMEN1LMNA | |
| SCHEMBL27936171 | 0.82 | ADRB2 (0.62) | ADRB2ADRB1SLC6A2ADRA1DHTR2A |
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 |
|---|---|---|---|---|---|---|---|
| US-9072734-B2 | Quaternary ammonium salt compounds | TEIJIN PHARMA LIMITED (JP) | 2015-07-07 | — | — | US | disclosed |
| CN-102459231-B | Quaternary ammonium salt compound | TEIJIN PHARMA LTD | 2015-04-22 | — | — | CN | disclosed |
| CN-102459231-A | Quaternary ammonium salt compound | TEIJIN PHARMA LTD | 2012-05-16 | — | — | CN | disclosed |
| EP-2426121-A1 | QUATERNARY AMMONIUM SALT COMPOUND | Teijin Pharma Limited (JP) | 2012-03-07 | — | — | EP | disclosed |
| US-20120046467-A1 | QUATERNARY AMMONIUM SALT COMPOUNDS | TEIJIN PHARMA LIMITED (JP) | 2012-02-23 | — | — | 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-20120046467-A1 | QUATERNARY AMMONIUM SALT COMPOUNDS | ADRB2, AGTR2, ADRB3 | ADRB2 1/4885ADRB1 4/4885KDM4E 2938/4885 |
“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.