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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRR1 | P24046 | 4/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CTH | P32929 | 2/20 | 0.33 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.32 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.32 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CBS | P35520 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CPB2 | Q96IY4 | 2/20 | 0.31 |
| ▸ | CPB1 | P15086 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Ethylamine SCHEMBL11148033 | 0.89 | GABRR1 (0.35) | GABRR1LMNACTHCACNA2D1CACNB3 | |
| Acetic Acid SCHEMBL8349487 | 0.87 | TDP1 (0.38) | LMNATDP1SMN1; SMN2ALOX15 | |
| Monoethanolamine SCHEMBL11547066 | 0.87 | GABRR1 (0.34) | GABRR1LMNACTHTSHRCBS | |
| SCHEMBL38290 | 0.86 | TDP1 (0.42) | GABRR1LMNACTHTSHRCBS | |
| Butylamine SCHEMBL11854878 | 0.84 | GPR84 (0.36) | GABRR1LMNATSHRCPB2CPB1 | |
| SCHEMBL5681308 | 0.84 | TDP1 (0.40) | GABRR1LMNACTHTSHRCBS | |
| Ammonia Solution, Strong SCHEMBL11291766 | 0.84 | TDP1 (0.46) | GABRR1LMNACTHTSHRCBS | |
| SCHEMBL11150705 | 0.84 | TDP1 (0.40) | GABRR1LMNACTHTSHRCBS | |
| Ammonia Solution, Strong SCHEMBL11291772 | 0.84 | TDP1 (0.46) | GABRR1LMNACTHTSHRCBS | |
| SCHEMBL11388252 | 0.84 | TDP1 (0.40) | GABRR1LMNACTHTSHRCBS |
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 |
|---|---|---|---|---|---|---|---|
| US-5962397-A | DRYING AQUEOUS SOLUTION CONTAINING CATIONIC SURFACTANT, ACID AND DETERGENT; SOLIDIFICATION | THE PROCTER & GAMBLE COMPANY (US) | 1999-10-05 | — | — | US | disclosed |
| WO-1997003154-A2 | PROCESS FOR MAKING GRANULAR DETERGENT COMPONENT | THE PROCTER & GAMBLE COMPANY (US) | 1997-01-30 | — | — | WO | disclosed |
| EP-0753571-A1 | Process for making granular detergent composition | THE PROCTER & GAMBLE COMPANY (US) | 1997-01-15 | — | — | EP | disclosed |