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 | |
|---|---|---|---|---|
| ▸ | GABRR1 | P24046 | 4/20 | 0.48 |
| ▸ | BLM | P54132 | 3/20 | 0.48 |
| ▸ | GABRR2 | P28476 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | GABRR3 | A8MPY1 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | APEX1 | P27695 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.35 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.35 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.33 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.33 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.33 |
| ▸ | ABAT | P80404 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL9308476 | 0.82 | — | — | |
| SCHEMBL30774 | 0.82 | — | — | |
| SCHEMBL27947402 | 0.82 | GABRR1 (0.40) | GABRR1BLMGABRR2LMNAGABRR3 | |
| SCHEMBL6013858 | 0.82 | — | — | |
| Formic Acid SCHEMBL3667112 | 0.79 | — | — | |
| Water SCHEMBL4908320 | 0.78 | — | — | |
| Acetic Acid SCHEMBL9155097 | 0.76 | GABRR1 (0.46) | GABRR1BLMGABRR2LMNAGABRR3 | |
| Acetic Acid SCHEMBL2771587 | 0.76 | GABRR1 (0.46) | GABRR1BLMGABRR2LMNAGABRR3 | |
| Acetic Acid SCHEMBL28254877 | 0.74 | — | — | |
| Sulfurous Acid SCHEMBL11034327 | 0.74 | GABRR1 (0.38) | GABRR1BLMGABRR2LMNAGABRR3 |
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-0273472-B1 | AQUEOUS DETERGENT COMPOSITIONS CONTAINING DIETHYLENEGLYCOL MONOHEXYL ETHER SOLVENT | THE PROCTER & GAMBLE COMPANY (US) | 1991-06-19 | — | — | EP | disclosed |
| EP-0273472-A1 | Aqueous detergent compositions containing diethyleneglycol monohexyl ether solvent | THE PROCTER & GAMBLE COMPANY (US) | 1988-07-06 | — | — | EP | disclosed |
| US-4749509-A | AND SYNTHETIC ORGANIC SURFACTANT AND WATERSOLUBLE DETERGENCY BUILDER | THE PROCTOR & GAMBLE COMPANY (US) | 1988-06-07 | — | — | US | disclosed |