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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 4/20 | 0.39 |
| ▸ | CES1 | P23141 | 4/20 | 0.39 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.36 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | FABP3 | P05413 | 3/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.33 |
| ▸ | PPARG | P37231 | 2/20 | 0.33 |
| ▸ | PPARD | Q03181 | 2/20 | 0.33 |
| ▸ | PPARA | Q07869 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.33 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.33 |
| ▸ | TLR2 | O60603 | 1/20 | 0.33 |
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 SCHEMBL30212789 | 1.00 | LMNA (0.39) | LMNATSHRTDP1CYP3A4BLM | |
| Acetic Acid SCHEMBL30212941 | 1.00 | LMNA (0.39) | LMNATSHRTDP1CYP3A4BLM | |
| Acetic Acid SCHEMBL30330267 | 1.00 | LMNA (0.39) | LMNATSHRTDP1CYP3A4BLM | |
| Acetic Acid SCHEMBL30330449 | 0.98 | LMNA (0.38) | LMNATSHRTDP1CYP3A4BLM | |
| Acetic Acid SCHEMBL29251929 | 0.98 | LMNA (0.38) | LMNATSHRTDP1CYP3A4BLM | |
| Acetic Acid SCHEMBL29252598 | 0.98 | LMNA (0.38) | LMNATSHRTDP1CYP3A4BLM | |
| Acetic Acid SCHEMBL30330609 | 0.98 | LMNA (0.38) | LMNATSHRTDP1CYP3A4BLM | |
| Acetic Acid SCHEMBL30330319 | 0.96 | LMNA (0.36) | LMNATSHRTDP1CYP3A4BLM | |
| Acetic Acid SCHEMBL30212710 | 0.95 | LMNA (0.38) | LMNATSHRTDP1CYP3A4BLM | |
| Acetic Acid SCHEMBL29251771 | 0.94 | CES1 (0.37) | LMNATSHRTDP1CYP3A4BLM |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023046704-A1 | ELECTROCHEMICAL GAS SENSOR AND ELECTROLYTE FOR AN ELECTROCHEMICAL GAS SENSOR | Dräger Safety AG & Co. KGaA (DE) | 2023-03-30 | — | — | WO | disclosed |