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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 19/20 | 0.80 |
| ▸ | ADRB1 | P08588 | 19/20 | 0.80 |
| ▸ | ADRB3 | P13945 | 19/20 | 0.80 |
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 SCHEMBL5443185 | 0.92 | ADRB2 (0.81) | ADRB2ADRB1ADRB3 | |
| Acetic Acid SCHEMBL5452161 | 0.90 | ADRB2 (0.82) | ADRB2ADRB1ADRB3 | |
| SCHEMBL5440365 | 0.90 | ADRB2 (0.77) | ADRB2ADRB1ADRB3 | |
| SCHEMBL5440350 | 0.90 | ADRB2 (0.77) | ADRB2ADRB1ADRB3 | |
| SCHEMBL5445686 | 0.89 | ADRB2 (0.82) | ADRB2ADRB1ADRB3 | |
| SCHEMBL5445688 | 0.89 | ADRB2 (0.82) | ADRB2ADRB1ADRB3 | |
| Acetic Acid SCHEMBL5448220 | 0.89 | ADRB2 (0.81) | ADRB2ADRB1ADRB3 | |
| Acetic Acid SCHEMBL5449470 | 0.89 | ADRB2 (1.00) | ADRB2ADRB1ADRB3 | |
| Acetic Acid SCHEMBL5447980 | 0.88 | ADRB2 (0.95) | ADRB2ADRB1ADRB3 | |
| Acetic Acid SCHEMBL5448138 | 0.88 | ADRB2 (1.00) | ADRB2ADRB1ADRB3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070249630-A1 | Phenethanolamine derivatives for treatment of respiratory diseases | GLAXO GROUP LIMITED (GB) | 2007-10-25 | — | — | US | disclosed |
| US-20050209338-A1 | Phenethanolamine derivatives for treatment of respiratory diseases | GLAXO GROUP LIMITED (GB) | 2005-09-22 | — | — | US | disclosed |
| EP-1478620-A1 | PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES | GLAXO GROUP LIMITED (GB) | 2004-11-24 | — | — | EP | disclosed |
| WO-2003072539-A1 | PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES | GLAXO GROUP LIMITED (GB) | 2003-09-04 | — | — | 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 (2 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-20050209338-A1 | Phenethanolamine derivatives for treatment of respiratory diseases | PHOSPHO1, PNMT, PEBP1 | ADRB2 89/4885ADRB1 192/4885ADRB3 128/4885 |
| US-20070249630-A1 | Phenethanolamine derivatives for treatment of respiratory diseases | PHOSPHO1, PNMT, PEBP1 | ADRB2 89/4885ADRB1 192/4885ADRB3 128/4885 |
“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.