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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 20/20 | 1.00 |
| ▸ | ADRB1 | P08588 | 20/20 | 1.00 |
| ▸ | ADRB3 | P13945 | 20/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.82 |
| ▸ | HTR1A | P08908 | 1/20 | 0.82 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.82 |
| ▸ | HTR1B | P28222 | 1/20 | 0.82 |
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 SCHEMBL4806567 | 1.00 | ADRB2 (1.00) | ADRB2ADRB1ADRB3CYP3A4HTR1A | |
| Acetic Acid SCHEMBL4802382 | 1.00 | ADRB2 (1.00) | ADRB2ADRB1ADRB3CYP3A4HTR1A | |
| Acetic Acid SCHEMBL4806811 | 1.00 | ADRB2 (1.00) | ADRB2ADRB1ADRB3CYP3A4HTR1A | |
| Acetic Acid SCHEMBL4809673 | 1.00 | ADRB2 (1.00) | ADRB2ADRB1ADRB3CYP3A4HTR1A | |
| Acetic Acid SCHEMBL3928679 | 1.00 | ADRB2 (1.00) | ADRB2ADRB1ADRB3CYP3A4HTR1A | |
| Acetic Acid SCHEMBL4810622 | 0.98 | ADRB2 (0.97) | ADRB2ADRB1ADRB3CYP3A4HTR1A | |
| Acetic Acid SCHEMBL4808812 | 0.98 | ADRB2 (0.97) | ADRB2ADRB1ADRB3CYP3A4HTR1A | |
| SCHEMBL4805606 | 0.96 | ADRB2 (1.00) | ADRB2ADRB1ADRB3CYP3A4HTR1A | |
| SCHEMBL4805616 | 0.96 | ADRB2 (1.00) | ADRB2ADRB1ADRB3CYP3A4HTR1A | |
| SCHEMBL4806150 | 0.96 | ADRB2 (1.00) | ADRB2ADRB1ADRB3CYP3A4HTR1A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7442719-B2 | Methods using phenethanolamine derivatives for treatment of respiratory diseases | GLAXO GROUP LIMITED (GB) | 2008-10-28 | — | — | US | disclosed |
| US-7442837-B2 | Phenethanolamine derivatives for treatment of respiratory diseases | GLAXO GROUP LIMITED (GB) | 2008-10-28 | — | — | US | disclosed |
| US-7442836-B2 | Prophylaxis of respiratory disorders and therapy, also metod of synthesis and composition with PDE4 inhibitor, corticosteroid hibitor or anticholinergic agent | GLAXO GROUP LIMITED (GB) | 2008-10-28 | — | — | US | disclosed |
| US-20070004807-A1 | e.g. 2-[9-chloro-6-(3-hydroxy-3-methylbutyl-1-yn-1-yl)-1H-phenanthro[9,10-d]imidazol-2-yl]-3-fluorobenzonitrile; microsomal prostaglandin E synthase inhibitor; analgesic, antiinflammatory agent; osteoarthritis, rheumatoid arthritis and acute or chronic pain; side effect reducer | GLAXO GROUP LIMITED (GB) | 2007-01-04 | — | — | US | disclosed |
| US-20060287389-A1 | PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES | GLAXO GROUP LIMITED (GB) | 2006-12-21 | — | — | US | disclosed |
| US-20060287286-A1 | PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES | GLAXO GROUP LIMITED (GB) | 2006-12-21 | — | — | US | disclosed |
| US-7135600-B2 | Selective beta 2-adrenoreceptor agonists; rapid onset of action, long duration; such as 3-(4-{[6-{(-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}amino)hexyl]oxy}butyl)benzenesulfonamide; synthesis | GLAXO GROUP LIMITED (GB) | 2006-11-14 | — | — | US | disclosed |
| US-20040180876-A1 | Phenethanolamine derivatives for treatment of respiratory diseases | GLAXO GROUP LIMITED (GB) | 2004-09-16 | — | — | 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 (4 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-20060287389-A1 | PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES | PHOSPHO1, PNMT, PEBP1 | ADRB2 89/4885ADRB1 192/4885ADRB3 128/4885 |
| US-20060287286-A1 | PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES | PHOSPHO1, PNMT, PEBP1 | ADRB2 89/4885ADRB1 192/4885ADRB3 128/4885 |
| US-20040180876-A1 | Phenethanolamine derivatives for treatment of respiratory diseases | PHOSPHO1, PNMT, PEBP1 | ADRB2 89/4885ADRB1 192/4885ADRB3 128/4885 |
| US-20070004807-A1 | e.g. 2-[9-chloro-6-(3-hydroxy-3-methylbutyl-1-yn-1-yl)-1H-phenanthro[9,10-d]imidazol-2-yl]-3-fluorobenzonitrile; microsomal prostaglandin E synthase inhibitor; analgesic, antiinflammatory agent; osteoarthritis, rheumatoid arthritis and acute or chronic pain; side effect reducer | PTGS1, PTGES, PTGES2 | ADRB2 701/4885ADRB1 369/4885ADRB3 831/4885 |
“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.