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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 5/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
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 SCHEMBL8849981 | 0.91 | MEN1 (0.33) | SMN1; SMN2MAPTLMNATSHRMEN1 | |
| Acetic Acid SCHEMBL8942398 | 0.83 | CA1 (0.38) | CA1CA2CA4 | |
| Hydrochloric Acid SCHEMBL8850304 | 0.82 | — | — | |
| Sulfuric Acid SCHEMBL8849965 | 0.82 | CYP2C19 (0.31) | POLBAPEX1CYP2C19 | |
| Hydrochloric Acid SCHEMBL8849872 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL8942441 | 0.81 | — | — | |
| SCHEMBL8849814 | 0.79 | POLB (0.31) | POLBAPEX1HPGD | |
| Sulfuric Acid SCHEMBL8849819 | 0.74 | GPR27 (0.32) | MEN1KMT2ACA2 | |
| Sulfuric Acid SCHEMBL8850659 | 0.73 | SOS1 (0.32) | CA1CA2 | |
| Hydrochloric Acid SCHEMBL8849866 | 0.72 | ALDH1A1 (0.33) | MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0606058-B1 | Halogenated cinnamic acids and their esters as well as processes for their preparation and halogenated aryldiazonium salts | HOECHST AG (DE) | 1997-11-05 | — | — | EP | disclosed |
| 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 |