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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 20/20 | 0.87 |
| ▸ | SCN5A known ✓ | Q14524 | 1/20 | 0.68 |
| ▸ | GHSR known ✓ | Q92847 | 1/20 | 0.68 |
| ▸ | ADRB3 | P13945 | 15/20 | 0.87 |
| ▸ | ADRB1 | P08588 | 15/20 | 0.87 |
| ▸ | MLNR | O43193 | 1/20 | 0.68 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.68 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.68 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.68 |
| ▸ | DRD1 | P21728 | 1/20 | 0.68 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.68 |
| ▸ | HTR2A | P28223 | 1/20 | 0.68 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.68 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.68 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.68 |
| ▸ | MC3R | P41968 | 1/20 | 0.68 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.68 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL925784 | 0.95 | ADRB2 (0.86) | ADRB2ADRB3ADRB1MLNRNR1I2 | |
| Acetic Acid SCHEMBL927368 | 0.93 | ADRB2 (1.00) | ADRB2ADRB3ADRB1MLNRNR1I2 | |
| Acetic Acid SCHEMBL3844778 | 0.93 | ADRB2 (1.00) | ADRB2ADRB3ADRB1MLNRNR1I2 | |
| Acetic Acid SCHEMBL2583535 | 0.90 | ADRB2 (1.00) | ADRB2ADRB3ADRB1 | |
| SCHEMBL927035 | 0.87 | ADRB2 (1.00) | ADRB2ADRB3ADRB1MLNRNR1I2 | |
| SCHEMBL925567 | 0.87 | ADRB2 (0.67) | ADRB2ADRB3ADRB1MLNRNR1I2 | |
| Vilanterol SCHEMBL925229 | 0.87 | ADRB2 (1.00) | ADRB2ADRB3ADRB1MLNRNR1I2 | |
| Vilanterol SCHEMBL29448201 | 0.87 | ADRB2 (1.00) | ADRB2ADRB3ADRB1MLNRNR1I2 | |
| Acetic Acid SCHEMBL925230 | 0.87 | ADRB2 (1.00) | ADRB2ADRB3ADRB1MLNRNR1I2 | |
| Acetic Acid SCHEMBL926610 | 0.85 | ADRB2 (1.00) | ADRB2ADRB3ADRB1SLC6A2HTR2A |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE44874-E1 | Phenethanolamine derivatives for treatment of respiratory diseases | GLAXO GROUP LIMITED (GB) | 2014-04-29 | — | — | US | disclosed |
| EP-2042168-B1 | Inhalation formulation comprising phenethanolamine derivatives for the treatment of respiratory diseases | GLAXO GROUP LTD (GB) | 2013-10-23 | — | — | EP | disclosed |
| US-8198483-B2 | Phenethanolamine derivatives for treatment of respiratory diseases | GLAXO GROUP LIMITED (GB) | 2012-06-12 | — | — | US | disclosed |
| US-20110269970-A1 | Phenethanolamine Derivatives for Treatment of Respiratory Diseases | GLAXO GROUP LIMITED (GB) | 2011-11-03 | — | — | US | disclosed |
| US-7982067-B2 | Phenethanolamine derivatives for treatment of respiratory diseases | GLAXO GROUP LIMITED (GB) | 2011-07-19 | — | — | US | disclosed |
| US-20110009631-A1 | Phenethanolamine Derivatives for Treatment of Respiratory Diseases | GLAXO GROUP LIMITED (GB) | 2011-01-13 | — | — | US | disclosed |
| US-7776895-B2 | Inhalation devices for delivering phenethanolamine derivatives for the treatment of respiratory diseases | GLAXO GROUP LIMITED (GB) | 2010-08-17 | — | — | US | disclosed |
| EP-2042168-A1 | Inhalation device comprising phenethanolamine derivatives for treatment of respiratory diseases | Glaxo Group Limited (GB) | 2009-04-01 | — | — | EP | disclosed |
| US-20090068273-A1 | Inhalation devices for delivering phenethanolamine derivatives for the treatment of respiratory diseases | GLAXO GROUP LIMITED (GB) | 2009-03-12 | — | — | US | disclosed |
| EP-1425001-B1 | PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES | GLAXO GROUP LTD (GB) | 2008-12-17 | — | — | EP | disclosed |
| US-7439393-B2 | Phenethanolamine derivatives for treatment of respiratory diseases | GLAXO GROUP LIMITED (GB) | 2008-10-21 | — | — | US | disclosed |
| US-7361787-B2 | Phenethanolamine derivatives for treatment of respiratory diseases | GLAXO GROUP LIMITED (GB) | 2008-04-22 | — | — | US | disclosed |
| US-20080003290-A1 | Phenethanolamine Derivatives for Treatment of Respiratory Diseases | GLAXO GROUP LIMITED (GB) | 2008-01-03 | — | — | US | disclosed |
| US-20050075394-A1 | Phenethanolamine derivatives for treatment of respiratory diseases | GLAXO GROUP LIMITED (GB) | 2005-04-07 | — | — | 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 (5 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-20080003290-A1 | Phenethanolamine Derivatives for Treatment of Respiratory Diseases | PHOSPHO1, PNMT, PEBP1 | ADRB2 89/4885SCN5A 1209/4885GHSR 2687/4885 |
| US-20110269970-A1 | Phenethanolamine Derivatives for Treatment of Respiratory Diseases | PNMT, HRH2, CHKB | ADRB2 53/4885SCN5A 1659/4885GHSR 1801/4885 |
| US-20110009631-A1 | Phenethanolamine Derivatives for Treatment of Respiratory Diseases | PHOSPHO1, PNMT, PEBP1 | ADRB2 265/4885SCN5A 2195/4885GHSR 2841/4885 |
| US-20050075394-A1 | Phenethanolamine derivatives for treatment of respiratory diseases | PHOSPHO1, PNMT, PEBP1 | ADRB2 89/4885SCN5A 1129/4885GHSR 2816/4885 |
| US-20090068273-A1 | Inhalation devices for delivering phenethanolamine derivatives for the treatment of respiratory diseases | PNMT, CHRM3, HRH4 | ADRB2 18/4885SCN5A 920/4885GHSR 869/4885 |
“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.