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 | |
|---|---|---|---|---|
| ▸ | GRIK1 | P39086 | 4/20 | 0.42 |
| ▸ | GRIK2 | Q13002 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | CPA1 | P15085 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | GABRP | O00591 | 4/20 | 0.32 |
| ▸ | GABRD | O14764 | 4/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.32 |
| ▸ | GABRB1 | P18505 | 4/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 4/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 4/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2435309 | 0.86 | — | — | |
| Acetic Acid SCHEMBL31288570 | 0.79 | GRIK1 (0.47) | GRIK1GRIK2CYP2C19SLC6A2SLC6A4 | |
| SCHEMBL1802717 | 0.78 | GRIK1 (0.47) | GRIK1GRIK2CYP2C19LTA4HSLC6A2 | |
| SCHEMBL11898501 | 0.78 | GRIK1 (0.47) | GRIK1GRIK2CYP2C19LTA4HSLC6A2 | |
| SCHEMBL11899280 | 0.78 | GRIK1 (0.47) | GRIK1GRIK2CYP2C19LTA4HSLC6A2 | |
| Acetic Acid SCHEMBL1160861 | 0.78 | GRIK1 (0.42) | GRIK1GRIK2CYP2C19SLC6A2SLC6A4 | |
| SCHEMBL1802323 | 0.78 | GRIK1 (0.47) | GRIK1GRIK2CYP2C19LTA4HSLC6A2 | |
| SCHEMBL11899857 | 0.78 | GRIK1 (0.47) | GRIK1GRIK2CYP2C19LTA4HSLC6A2 | |
| Acetic Acid SCHEMBL27260986 | 0.77 | GRIK1 (0.39) | GRIK1GRIK2CYP2C19CPA1CYP2D6 | |
| Acetic Acid SCHEMBL31261309 | 0.76 | GRIK1 (0.59) | GRIK1GRIK2CYP2C19SLC7A5 |
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-2547453-A1 | FROTH FLOTATION PROCESS FOR THE SEPARATION OF SILICATES AND ALKALINE EARTH METAL CARBONATES USING A COLLECTOR COMPRISING AT LEAST ONE HYDROPHOBICALLY MODIFIED POLYALKYLENEIMINE | Omya Development AG (CH) | 2013-01-23 | — | — | EP | disclosed |
| WO-2011113866-A1 | FROTH FLOTATION PROCESS FOR THE SEPARATION OF SILICATES AND ALKALINE EARTH METAL CARBONATES USING A COLLECTOR COMPRISING AT LEAST ONE HYDROPHOBICALLY MODIFIED POLYALKYLENEIMINE | OMYA DEVELOPMENT AG (CH) | 2011-09-22 | — | — | WO | disclosed |