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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 17/20 | 0.61 |
| ▸ | ADRB1 | P08588 | 8/20 | 0.61 |
| ▸ | ADRB3 | P13945 | 8/20 | 0.61 |
| ▸ | CASP3 | P42574 | 1/20 | 0.53 |
| ▸ | CASP6 | P55212 | 1/20 | 0.53 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.51 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.51 |
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 SCHEMBL5388441 | 1.00 | ADRB2 (0.61) | ADRB2ADRB1ADRB3CASP3CASP6 | |
| SCHEMBL5282513 | 0.96 | ADRB2 (0.57) | ADRB2ADRB1ADRB3CASP3CASP6 | |
| SCHEMBL5280379 | 0.96 | ADRB2 (0.57) | ADRB2ADRB1ADRB3CASP3CASP6 | |
| SCHEMBL5286408 | 0.88 | ADRB2 (0.50) | ADRB2ADRB1ADRB3CASP3CASP6 | |
| SCHEMBL5389153 | 0.88 | ADRB2 (0.50) | ADRB2ADRB1ADRB3CASP3CASP6 | |
| SCHEMBL5433003 | 0.88 | ADRB2 (0.50) | ADRB2ADRB1ADRB3CASP3CASP6 | |
| Acetic Acid SCHEMBL5437977 | 0.85 | ADRB2 (0.72) | ADRB2ADRB1ADRB3ADRA1DADRA1A | |
| SCHEMBL7143882 | 0.83 | ADRB2 (0.72) | ADRB2ADRB1CASP3CASP6ADRA1D | |
| SCHEMBL13754643 | 0.83 | ADRB2 (0.72) | ADRB2ADRB1CASP3CASP6ADRA1D | |
| SCHEMBL7143881 | 0.83 | ADRB2 (0.72) | ADRB2ADRB1CASP3CASP6ADRA1D |
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-1497261-B1 | PHENETHANOLAMINE DERIVATIVES | GLAXO GROUP LTD (GB) | 2007-12-19 | — | — | EP | disclosed |
| US-7271197-B2 | Phenethanolamine derivatives | GLAXO GROUP LIMITED (GB) | 2007-09-18 | — | — | US | disclosed |
| US-20050256201-A1 | Phenethanolamine derivatives | GLAXO GROUP LIMITED | 2005-11-17 | — | — | 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-20050256201-A1 | Phenethanolamine derivatives | PNMT, PHOSPHO1, NAPEPLD | ADRB2 85/4885ADRB1 148/4885ADRB3 67/4885 |
“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.