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 | 20/20 | 0.65 |
| ▸ | ADRB1 | P08588 | 19/20 | 0.65 |
| ▸ | ADRB3 | P13945 | 9/20 | 0.65 |
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 SCHEMBL5127986 | 0.98 | ADRB2 (0.62) | ADRB2ADRB1ADRB3 | |
| SCHEMBL5115447 | 0.96 | ADRB2 (0.67) | ADRB2ADRB1ADRB3 | |
| SCHEMBL5115456 | 0.96 | ADRB2 (0.67) | ADRB2ADRB1ADRB3 | |
| SCHEMBL5126828 | 0.95 | ADRB2 (0.66) | ADRB2ADRB1ADRB3 | |
| SCHEMBL5126823 | 0.95 | ADRB2 (0.66) | ADRB2ADRB1ADRB3 | |
| Acetic Acid SCHEMBL4824545 | 0.91 | ADRB2 (0.67) | ADRB2ADRB1ADRB3 | |
| SCHEMBL5120334 | 0.90 | ADRB2 (0.55) | ADRB2ADRB1ADRB3 | |
| SCHEMBL5120345 | 0.89 | ADRB2 (0.59) | ADRB2ADRB1ADRB3 | |
| Acetic Acid SCHEMBL5120379 | 0.89 | ADRB2 (0.81) | ADRB2ADRB1 | |
| SCHEMBL5127994 | 0.88 | ADRB2 (0.54) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7402598-B2 | Arylethanolamine β2-adrenoreceptor agonist compounds | GLAXO GROUP LIMITED (GB) | 2008-07-22 | — | — | US | disclosed |
| US-20060111344-A1 | Arylethanolamine beta2-adrenoreceptor agonist compounds | GLAXO GROUP LIMITED (GB) | 2006-05-25 | — | — | 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-20060111344-A1 | Arylethanolamine beta2-adrenoreceptor agonist compounds | ADRB2, ADRB1, ADRA2A | ADRB2 1/4885ADRB1 2/4885ADRB3 6/4885 |
“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.