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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.36 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.36 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.36 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.36 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
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 SCHEMBL9764151 | 0.97 | ALDH1A1 (0.55) | ALDH1A1TDP1CYP2C19CA2ACHE | |
| Hydrogen Peroxide SCHEMBL16799548 | 0.94 | CYP2C19 (0.56) | ALDH1A1TDP1CYP2C19CA2ACHE | |
| Acetone SCHEMBL10786728 | 0.90 | ALDH1A1 (0.61) | ALDH1A1TDP1CYP2C19CA2ACHE | |
| SCHEMBL36990 | 0.90 | CYP2C19 (0.59) | ALDH1A1TDP1CYP2C19CA2ACHE | |
| SCHEMBL10834211 | 0.90 | CYP2C19 (0.59) | ALDH1A1TDP1CYP2C19CA2ACHE | |
| Benzene SCHEMBL27459135 | 0.88 | CYP2C19 (0.52) | ALDH1A1TDP1CYP2C19CA2ACHE | |
| Water SCHEMBL3865217 | 0.87 | CYP2C19 (0.56) | ALDH1A1TDP1CYP2C19CA2ACHE | |
| Fluoride SCHEMBL5203462 | 0.87 | CYP2C19 (0.56) | ALDH1A1TDP1CYP2C19CA2ACHE | |
| Ammonia Solution, Strong SCHEMBL7923599 | 0.87 | CYP2C19 (0.56) | ALDH1A1TDP1CYP2C19CA2ACHE | |
| SCHEMBL9659709 | 0.87 | CYP2C19 (0.56) | ALDH1A1TDP1CYP2C19CA2ACHE |
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 |
|---|---|---|---|---|---|---|---|
| CN-109643063-B | Actinic-ray-or radiation-sensitive resin composition, pattern forming method, and method for manufacturing electronic device | 富士胶片株式会社 | 2022-07-22 | — | — | CN | disclosed |
| US-20210171428-A1 | METHOD FOR PRODUCING KETENE DERIVATIVE | DAICEL CORPORATION (JP) | 2021-06-10 | — | — | US | disclosed |
| EP-3406588-B1 | METHOD FOR PRODUCING KETENE DERIVATIVE | DAICEL CORP (JP) | 2020-08-19 | — | — | EP | disclosed |
| EP-3406588-A1 | METHOD FOR PRODUCING KETENE DERIVATIVE | Daicel Corporation (JP) | 2018-11-28 | — | — | EP | disclosed |
| CN-108473410-A | The manufacturing method of ketenes derivative | 株式会社大赛璐 | 2018-08-31 | — | — | CN | disclosed |