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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIK1 | P39086 | 2/20 | 0.44 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.44 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.42 |
| ▸ | PPARD | Q03181 | 1/20 | 0.42 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.42 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.42 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.41 |
| ▸ | LAP3 | P28838 | 1/20 | 0.41 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.41 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10456044 | 0.91 | SPHK1 (0.45) | MAPTLAP3BLM | |
| Hydrochloric Acid SCHEMBL5183108 | 0.89 | SPHK1 (0.44) | MAPTLAP3BLM | |
| Hydrochloric Acid SCHEMBL8461419 | 0.89 | SPHK1 (0.44) | MAPTLAP3BLM | |
| Hydrochloric Acid SCHEMBL115349 | 0.89 | SPHK1 (0.44) | MAPTLAP3BLM | |
| SCHEMBL117023 | 0.83 | SPHK1 (0.45) | MAPTLAP3BLM | |
| Acetic Acid SCHEMBL6838222 | 0.83 | GRIK1 (0.47) | GRIK1GRIK2GPR84FFAR1MAPT | |
| SCHEMBL10575768 | 0.80 | LMNA (0.44) | MAPTLAP3BLM | |
| SCHEMBL21380735 | 0.77 | SPHK1 (0.47) | MAPTLAP3BLM | |
| SCHEMBL21615917 | 0.77 | SPHK1 (0.47) | MAPTLAP3BLM | |
| SCHEMBL27507781 | 0.76 | MAPT (0.46) | GRIK1GRIK2GPR84FFAR1MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4144177-A | ANIONIC SURFACTANT, QUATERNARY AMMONIUM SALT | KAO SOAP CO., LTD. (JP) | 1979-03-13 | — | — | US | claimed |
| US-6680286-B1 | CONTAINING AN ORGANIC POLYELECTROLYTE BUILDER, QUATERNARY AMMONIUM ACRYLIC POLYMERS, WHICH ARE ESPECIALLY USEFUL FOR WASHING CLOTHES | SANYO CHEMICAL INDUSTRIES, LTD. (JP) | 2004-01-20 | — | — | US | disclosed |
| WO-2001053598-A1 | DRY CLEANING SOLVENT COMPOSITION FOR FABRICS | ALBEMARLE CORPORATION (US) | 2001-07-26 | — | — | WO | disclosed |
| US-4144177-A | ANIONIC SURFACTANT, QUATERNARY AMMONIUM SALT | KAO SOAP CO., LTD. (JP) | 1979-03-13 | — | — | US | disclosed |