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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 2/20 | 0.39 |
| ▸ | PPARA | Q07869 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.39 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.39 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 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 | |
|---|---|---|---|---|
| Lactic Acid SCHEMBL7768064 | 0.92 | CSNK1E (0.41) | CNR2CSNK1EMEN1KMT2APPARG | |
| Malonic Acid SCHEMBL7764459 | 0.92 | CNR2 (0.43) | CNR2MEN1KMT2APPARGPPARA | |
| Succinic Acid SCHEMBL7764866 | 0.92 | S1PR2 (0.41) | CNR2MEN1KMT2APPARGPPARA | |
| Adipic Acid SCHEMBL7760675 | 0.91 | FFAR4 (0.47) | MEN1KMT2APPARGPPARAALDH1A1 | |
| Cadaverine Tartrate SCHEMBL7764905 | 0.91 | CSNK1E (0.40) | CNR2CSNK1EMEN1KMT2APPARG | |
| Hydrochloric Acid SCHEMBL7760756 | 0.90 | GRIN2D (0.43) | CSNK1EGRIN2DGRIN3BGRIN1GRIN2A | |
| Hydrochloric Acid SCHEMBL7766063 | 0.90 | GRIN2D (0.43) | CSNK1EGRIN2DGRIN3BGRIN1GRIN2A | |
| Hydrochloric Acid SCHEMBL8722907 | 0.90 | GRIN2D (0.43) | CSNK1EGRIN2DGRIN3BGRIN1GRIN2A | |
| Acetic Acid SCHEMBL7764900 | 0.88 | THRA (0.42) | CNR2ALDH1A1 | |
| Acetic Acid SCHEMBL7764520 | 0.83 | ALDH1A1 (0.44) | CNR2CSNK1EALDH1A1 |
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-0825175-B1 | Quaternary ammonium disinfectant | NICCA CHEMICAL CO (JP) | 2001-06-13 | — | — | EP | disclosed |
| EP-0825175-A1 | Quaternary ammonium disinfectant | NICCA CHEMICAL CO., LTD. (JP) | 1998-02-25 | — | — | EP | disclosed |