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 | 19/20 | 1.00 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.67 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.67 |
| ▸ | ADRB3 | P13945 | 19/20 | 1.00 |
| ▸ | ADRB1 | P08588 | 18/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.84 |
| ▸ | HTR1A | P08908 | 3/20 | 0.84 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.84 |
| ▸ | HTR1B | P28222 | 3/20 | 0.84 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.67 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.67 |
| ▸ | DRD2 | P14416 | 1/20 | 0.67 |
| ▸ | DRD4 | P21917 | 1/20 | 0.67 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.67 |
| ▸ | FPR3 | P25089 | 1/20 | 0.67 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.67 |
| ▸ | HTR1D | P28221 | 1/20 | 0.67 |
| ▸ | HTR2A | P28223 | 1/20 | 0.67 |
| ▸ | HTR2C | P28335 | 1/20 | 0.67 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL4628373 | 0.96 | ADRB2 (0.92) | ADRB2ADRB3ADRB1CYP3A4HTR1A | |
| Acetic Acid SCHEMBL4628840 | 0.92 | ADRB2 (1.00) | ADRB2ADRB3ADRB1CYP3A4HTR1A | |
| Acetic Acid SCHEMBL4627368 | 0.92 | ADRB2 (1.00) | ADRB2ADRB3ADRB1CYP3A4HTR1A | |
| Acetic Acid SCHEMBL4628865 | 0.91 | ADRB2 (1.00) | ADRB2ADRB3ADRB1CYP3A4HTR1A | |
| Acetic Acid SCHEMBL4628650 | 0.91 | ADRB2 (1.00) | ADRB2ADRB3ADRB1CYP3A4HTR1A | |
| Acetic Acid SCHEMBL4629325 | 0.91 | ADRB2 (0.98) | ADRB2ADRB3ADRB1CYP3A4HTR1A | |
| Acetic Acid SCHEMBL4810430 | 0.90 | ADRB2 (1.00) | ADRB2ADRB3ADRB1CYP3A4HTR1A | |
| SCHEMBL4629330 | 0.88 | ADRB2 (0.79) | ADRB2ADRB3ADRB1CYP3A4HTR1A | |
| Acetic Acid SCHEMBL925572 | 0.88 | ADRB2 (0.90) | ADRB2ADRB3ADRB1CYP3A4HTR1A | |
| SCHEMBL4628566 | 0.88 | ADRB2 (0.94) | ADRB2ADRB3ADRB1CYP3A4HTR1A |
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 |
|---|---|---|---|---|---|---|---|
| US-7442839-B2 | Phenethanolamine derivative for the treatment of respiratory diseases | GLAXO GROUP LIMITED (GB) | 2008-10-28 | — | — | US | disclosed |
| EP-1556342-B1 | PHENETHANOLAMINE DERIVATIVE FOR THE TREATMENT OF RESPIRATORY DISEASES | GLAXO GROUP LTD (GB) | 2008-03-26 | — | — | EP | disclosed |
| US-20060205794-A1 | Phenethanolamine derivative for the treatment of respiratory diseases | GLAXO GROUP LIMITED (GB) | 2006-09-14 | — | — | 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-20060205794-A1 | Phenethanolamine derivative for the treatment of respiratory diseases | PHOSPHO1, PNMT, NAPEPLD | ADRB2 83/4885ADRA2B 254/4885OPRK1 2626/4885 |
“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.