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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.48 |
| ▸ | SLC22A6 | Q4U2R8 | 2/20 | 0.65 |
| ▸ | LMNA | P02545 | 3/20 | 0.63 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.63 |
| ▸ | TSHR | P16473 | 6/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.50 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.48 |
| ▸ | PPARG | P37231 | 6/20 | 0.48 |
| ▸ | PPARD | Q03181 | 6/20 | 0.48 |
| ▸ | PPARA | Q07869 | 6/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.48 |
| ▸ | TLR2 | O60603 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | FABP4 | P15090 | 2/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.48 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL15468 | 0.97 | — | — | |
| SCHEMBL2517124 | 0.97 | SLC22A6 (0.69) | SLC22A6LMNASLC15A2TSHRNFKB1 | |
| Succinic Acid SCHEMBL8011261 | 0.94 | LMNA (0.72) | SLC22A6LMNASLC15A2TSHRNFKB1 | |
| Water SCHEMBL10960490 | 0.94 | SLC22A6 (0.65) | SLC22A6LMNASLC15A2TSHRNFKB1 | |
| SCHEMBL371528 | 0.91 | LMNA (0.69) | SLC22A6LMNASLC15A2TSHRNFKB1 | |
| Glutarate SCHEMBL5712395 | 0.91 | SLC22A6 (0.79) | SLC22A6LMNASLC15A2TSHRNFKB1 | |
| SCHEMBL11869641 | 0.89 | SLC22A6 (0.58) | SLC22A6LMNASLC15A2TSHRNFKB1 | |
| SCHEMBL24538421 | 0.88 | TSHR (0.71) | SLC22A6LMNASLC15A2TSHRNFKB1 | |
| SCHEMBL2343659 | 0.88 | TSHR (0.71) | SLC22A6LMNASLC15A2TSHRNFKB1 | |
| SCHEMBL2346285 | 0.88 | TSHR (0.71) | SLC22A6LMNASLC15A2TSHRNFKB1 |
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-1390085-B1 | HYDROGEL COMPOSITIONS | AV TOPCHIEV INST PETROCHEMICAL (RU) | 2009-08-05 | — | — | EP | claimed |
| US-4481312-A | Sheet structures and fibers containing burr-shaped or fibrous, doped polyacetylene particles and process for the production thereof | BAYER AKTIENGESELLSCHAFT (DE) | 1984-11-06 | — | — | US | disclosed |