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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 12/20 | 0.50 |
| ▸ | CA1 | P00915 | 10/20 | 0.50 |
| ▸ | CA9 | Q16790 | 9/20 | 0.50 |
| ▸ | CA5A | P35218 | 4/20 | 0.49 |
| ▸ | CA12 | O43570 | 5/20 | 0.47 |
| ▸ | CA6 | P23280 | 4/20 | 0.47 |
| ▸ | CA4 | P22748 | 3/20 | 0.47 |
| ▸ | CA7 | P43166 | 3/20 | 0.47 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.46 |
| ▸ | PTGES | O14684 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.41 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.41 |
| ▸ | LDHA | P00338 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL391939 | 0.89 | CA2 (0.56) | CA2CA1CA9CA5ACA12 | |
| Hydrochloric Acid SCHEMBL6754825 | 0.87 | CA2 (0.54) | CA2CA1CA9CA5ACA12 | |
| Hydrochloric Acid SCHEMBL5740459 | 0.87 | CA2 (0.54) | CA2CA1CA9CA5ACA12 | |
| Acetic Acid SCHEMBL5045090 | 0.80 | CA1 (0.50) | CA2CA1CA9CA5ACA12 | |
| SCHEMBL202947 | 0.78 | CA2 (0.70) | CA2CA1CA9CA5ACA12 | |
| SCHEMBL8106699 | 0.78 | LOX (0.47) | CA2CA1CA9CA5ACA12 | |
| Acetic Acid SCHEMBL6695169 | 0.77 | SCN9A (0.50) | CA2CA1CA9CA5ACA12 | |
| SCHEMBL6820364 | 0.75 | CA2 (0.50) | CA2CA1CA9CA5ACA12 | |
| SCHEMBL10749655 | 0.75 | CA2 (0.67) | CA2CA1CA9CA5ACA12 | |
| SCHEMBL10750176 | 0.75 | CA2 (0.67) | CA2CA1CA9CA5ACA12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1425001-A1 | PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES | GLAXO GROUP LIMITED (GB) | 2004-06-09 | — | — | EP | disclosed |
| WO-2003024439-A1 | PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES | GLAXO GROUP LIMITED (GB) | 2003-03-27 | — | — | WO | disclosed |