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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
| ▸ | LDHA | P00338 | 1/20 | 0.30 |
| ▸ | LDHB | P07195 | 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 | |
|---|---|---|---|---|
| SCHEMBL539258 | 0.87 | — | — | |
| Propionamide SCHEMBL6756438 | 0.78 | — | — | |
| Propionic Acid SCHEMBL27744276 | 0.75 | FFAR3 (0.67) | FFAR3TDP1ALDH1A1LCKFYN | |
| SCHEMBL2350817 | 0.74 | — | — | |
| SCHEMBL671878 | 0.74 | — | — | |
| Acetic Acid SCHEMBL16269468 | 0.73 | FFAR3 (0.64) | FFAR3TDP1ALDH1A1LCKFYN | |
| Acetic Acid SCHEMBL319922 | 0.73 | FFAR3 (0.64) | FFAR3TDP1ALDH1A1LCKFYN | |
| Acetic Acid SCHEMBL159615 | 0.73 | FFAR3 (0.64) | FFAR3TDP1ALDH1A1LCKFYN | |
| Acetic Acid SCHEMBL1150955 | 0.73 | FFAR3 (0.64) | FFAR3TDP1ALDH1A1LCKFYN | |
| Acetic Acid SCHEMBL21807691 | 0.73 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1791936-B1 | CLEANING FORMULATIONS FOR DISHCLEANING MACHINE CONTAINING HYDROPHOBICALLY MODIFIED POLYCARBOXYLATE | BASF SE (DE) | 2012-02-22 | — | — | EP | disclosed |
| CN-101018849-B | Cleaning formulations for dish cleaning machine containing hydrophobically modified polycarboxylate | BASF AG | 2011-11-09 | — | — | CN | disclosed |
| CN-101018849-A | Cleaning formulations for dishcleaning machine containing hydrophobically modified polycarboxylate | BASF AG (DE) | 2007-08-15 | — | — | CN | disclosed |
| EP-1791936-A1 | CLEANING FORMULATIONS FOR DISHCLEANING MACHINE CONTAINING HYDROPHOBICALLY MODIFIED POLYCARBOXYLATE | BASF AKTIENGESELLSCHAFT (DE) | 2007-06-06 | — | — | EP | disclosed |
| WO-2006029806-A1 | CLEANING FORMULATIONS FOR DISHCLEANING MACHINE CONTAINING HYDROPHOBICALLY MODIFIED POLYCARBOXYLATE | BASF AKTIENGESELLSCHAFT (DE) | 2006-03-23 | — | — | WO | disclosed |