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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.52 |
| ▸ | CA1 | P00915 | 5/20 | 0.52 |
| ▸ | CA12 | O43570 | 5/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.52 |
| ▸ | CA7 | P43166 | 2/20 | 0.52 |
| ▸ | PPARA | Q07869 | 3/20 | 0.42 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5127346 | 0.78 | CA2 (0.64) | CA2CA1CA12CA14CA7 | |
| SCHEMBL6112136 | 0.75 | CA2 (0.58) | CA2CA1CA12CA14CA7 | |
| Acetic Acid SCHEMBL4605639 | 0.74 | EPHX1 (0.47) | ALOX15 | |
| SCHEMBL3221256 | 0.73 | CA2 (0.60) | CA2CA1CA12CA14CA7 | |
| SCHEMBL7085537 | 0.72 | CA2 (0.63) | CA2CA1CA12CA14CA7 | |
| SCHEMBL7081057 | 0.72 | CA2 (0.63) | CA2CA1CA12CA14CA7 | |
| Sulfuric Acid SCHEMBL28682864 | 0.71 | ALOX15 (0.51) | CA2ALOX15 | |
| Butyl(Butylsulfamoyl)Amine SCHEMBL2486301 | 0.71 | CA1 (1.00) | CA2CA1CA12CA14CA7 | |
| Acetamide SCHEMBL27620721 | 0.69 | EPHX1 (0.48) | ALOX15 | |
| Octane SCHEMBL27928054 | 0.69 | SPHK1 (0.46) | PPARAALOX15 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104003913-B | The preparation method of E-3,4-dihydroxyphenyl vinylic sulfonamides and sulfonates compounds and the application as neuroprotective thereof | PEKING UNIVERSITY (CN) | 2015-10-07 | — | — | CN | disclosed |