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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNM1 | Q05193 | 8/20 | 0.53 |
| ▸ | PSMD14 | O00487 | 2/20 | 0.50 |
| ▸ | PLA2G1B | P04054 | 2/20 | 0.50 |
| ▸ | MMP2 | P08253 | 2/20 | 0.50 |
| ▸ | ATG4B | Q9Y4P1 | 2/20 | 0.50 |
| ▸ | RAD52 | P43351 | 1/20 | 0.50 |
| ▸ | LSS | P48449 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
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 SCHEMBL28437505 | 1.00 | DNM1 (0.53) | DNM1PSMD14PLA2G1BMMP2ATG4B | |
| Acetic Acid SCHEMBL28363254 | 0.94 | DNM1 (0.50) | DNM1PSMD14PLA2G1BMMP2ATG4B | |
| Acetic Acid SCHEMBL29126254 | 0.92 | DNM1 (0.48) | DNM1PSMD14PLA2G1BMMP2ATG4B | |
| Acetic Acid SCHEMBL5573581 | 0.92 | LSS (0.50) | DNM1LSSHTTBBOX1CES2 | |
| Acetic Acid SCHEMBL11125571 | 0.92 | LSS (0.50) | DNM1LSSHTTBBOX1CES2 | |
| Acetic Acid SCHEMBL5574285 | 0.92 | LSS (0.50) | DNM1LSSHTTBBOX1CES2 | |
| Acetic Acid SCHEMBL5574393 | 0.92 | LSS (0.50) | DNM1LSSHTTBBOX1CES2 | |
| Acetic Acid SCHEMBL8378663 | 0.92 | LSS (0.50) | DNM1LSSHTTBBOX1CES2 | |
| Acetic Acid SCHEMBL2204892 | 0.92 | LSS (0.50) | DNM1LSSHTTBBOX1CES2 | |
| Propionic Acid SCHEMBL2898271 | 0.91 | DNM1 (0.52) | DNM1PSMD14PLA2G1BMMP2ATG4B |
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 |
|---|---|---|---|---|---|---|---|
| CN-112970752-B | Environment-friendly efficient surface disinfectant and preparation method thereof | 中国日用化学研究院有限公司 | 2022-02-18 | — | — | CN | disclosed |
| CN-112970752-A | Environment-friendly efficient surface disinfectant and preparation method thereof | 中国日用化学研究院有限公司 | 2021-06-18 | — | — | CN | disclosed |