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 | |
|---|---|---|---|---|
| ▸ | NOS3 known ✓ | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 known ✓ | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 known ✓ | P35228 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | GABRR1 | P24046 | 4/20 | 0.39 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.39 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | SLC7A11 | Q9UPY5 | 1/20 | 0.36 |
| ▸ | GSR | P00390 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.34 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.34 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.34 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.33 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.33 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.33 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL28256329 | 1.00 | FFAR3 (0.39) | FFAR3LCKFYNGABRR1SLC7A5 | |
| SCHEMBL12278630 | 0.94 | — | — | |
| SCHEMBL43339 | 0.94 | — | — | |
| SCHEMBL12243889 | 0.94 | — | — | |
| SCHEMBL29061040 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL28944200 | 0.92 | — | — | |
| Acetic Acid SCHEMBL5570292 | 0.79 | FFAR3 (0.47) | FFAR3LCKFYNGABRR1SLC7A5 | |
| Acetic Acid SCHEMBL1536717 | 0.79 | FFAR3 (0.47) | FFAR3LCKFYNGABRR1SLC7A5 | |
| Acetic Acid SCHEMBL6707542 | 0.79 | FFAR3 (0.47) | FFAR3LCKFYNGABRR1SLC7A5 | |
| Acetic Acid SCHEMBL6150069 | 0.77 | ALDH1A1 (0.62) | FFAR3LCKFYNGABRR1SLC7A5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2414514-A2 | COMPOSITIONS AND METHODS COMPRISING ALPHA-AMYLASE VARIANTS WITH ALTERED PROPERTIES | Danisco US Inc. (US) | 2012-02-08 | — | — | EP | disclosed |
| WO-2010115021-A2 | COMPOSITIONS AND METHODS COMPRISING ALPHA-AMYLASE VARIANTS WITH ALTERED PROPERTIES | DANISCO US INC. (US) | 2010-10-07 | — | — | WO | disclosed |
| EP-2126089-A2 | ALKALIPHILIC BACILLUS SPECIES A-AMYLASE VARIANTS, COMPOSITIONS COMPRISING A-AMYLASE VARIANTS, AND METHODS OF USE | Danisco US, INC., Genencor Division (US) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008112459-A2 | ALKALIPHILIC BACILLUS SPECIES A-AMYLASE VARIANTS, COMPOSITIONS COMPRISING A-AMYLASE VARIANTS, AND METHODS OF USE | DANISCO US INC., GENENCOR DIVISION (US) | 2008-09-18 | — | — | WO | disclosed |