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 | |
|---|---|---|---|---|
| ▸ | PAOX | Q6QHF9 | 3/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | F13A1 | P00488 | 1/20 | 0.38 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.37 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
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 SCHEMBL28175735 | 1.00 | PAOX (0.60) | PAOXKDM4EMAPK1HIF1ATSHR | |
| SCHEMBL43340 | 0.95 | — | — | |
| SCHEMBL27643070 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL9178426 | 0.92 | — | — | |
| SCHEMBL29061039 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL6045196 | 0.92 | — | — | |
| Bromide SCHEMBL5490790 | 0.92 | — | — | |
| Benzene SCHEMBL27940486 | 0.90 | PAOX (0.56) | PAOXKDM4EMAPK1HIF1ATSHR | |
| Trifluoroacetic Acid SCHEMBL22578596 | 0.84 | PAOX (0.50) | PAOXKDM4EMAPK1HIF1ATSHR | |
| SCHEMBL9732006 | 0.81 | PAOX (0.52) | PAOXKDM4EMAPK1HIF1ATSHR |
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 |