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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA4 | P22748 | 2/20 | 0.38 |
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 SCHEMBL8849775 | 0.83 | POLB (0.37) | CA1CA2CA4 | |
| SCHEMBL23804111 | 0.82 | — | — | |
| Acetic Acid SCHEMBL8849981 | 0.78 | MEN1 (0.33) | — | |
| SCHEMBL8849876 | 0.76 | — | — | |
| Acetic Acid SCHEMBL29031751 | 0.61 | — | — | |
| Acetic Acid SCHEMBL34888 | 0.60 | CA1 (0.89) | CA1CA2CA4 | |
| Acetic Acid SCHEMBL892911 | 0.60 | CA1 (0.89) | CA1CA2CA4 | |
| Acetic Acid SCHEMBL473611 | 0.60 | — | — | |
| Acetic Acid SCHEMBL10405042 | 0.57 | CA1 (0.80) | CA1CA2CA4 | |
| Acetic Acid SCHEMBL10534140 | 0.57 | CA1 (0.80) | CA1CA2CA4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5516932-A | Halogenated cinnamic acids and esters thereof, processes for the preparation thereof and halogenated aryldiazonium salts | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-05-14 | — | — | US | disclosed |
| EP-0606058-A2 | Halogenated cinnamic acids and their esters as well as processes for their preparation and halogenated aryldiazonium salts | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-07-13 | — | — | EP | disclosed |