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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 1/20 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL2383524 | 0.97 | FFAR3 (0.44) | FFAR3LCKFYNALDH1A1TSHR | |
| SCHEMBL60521 | 0.91 | — | — | |
| SCHEMBL9617014 | 0.88 | — | — | |
| SCHEMBL2331069 | 0.88 | — | — | |
| Acetic Acid SCHEMBL14656179 | 0.80 | CA1 (0.44) | ALDH1A1TSHRLMNAALOX15BLM | |
| Trifluoroacetic Acid SCHEMBL1029099 | 0.79 | NOS1 (0.32) | — | |
| SCHEMBL1424736 | 0.69 | ALDH1A1 (0.39) | ALDH1A1TSHRLMNAALOX15BLM | |
| SCHEMBL128484 | 0.69 | — | — | |
| SCHEMBL2044917 | 0.69 | ALDH1A1 (0.39) | ALDH1A1TSHRLMNAALOX15BLM | |
| SCHEMBL25404483 | 0.69 | ALDH1A1 (0.33) | FFAR3LCKFYNALDH1A1TSHR |
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-2559339-A1 | DISINFECTION AID FOR OZONE DISINFECTION AND METHOD FOR OZONE DISINFECTION | Lion Corporation (JP) | 2013-02-20 | — | — | EP | disclosed |
| US-20130028787-A1 | STERILIZATION AUXILIARY FOR OZONE STERILIZATION AND OZONE STERILIZATION METHOD | LION CORPORATION (JP) | 2013-01-31 | — | — | US | disclosed |