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 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | MGAM | O43451 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SI | P14410 | 1/20 | 0.33 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
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 SCHEMBL725625 | 0.91 | FFAR3 (0.50) | FFAR3LCKFYNALDH1A1TP53 | |
| Acetic Acid SCHEMBL11544701 | 0.91 | FFAR3 (0.50) | FFAR3LCKFYNALDH1A1TP53 | |
| Acetic Acid SCHEMBL10338273 | 0.91 | FFAR3 (0.50) | FFAR3LCKFYNALDH1A1TP53 | |
| Acetic Acid SCHEMBL2578973 | 0.91 | FFAR3 (0.50) | FFAR3LCKFYNALDH1A1TP53 | |
| Acetic Acid SCHEMBL832778 | 0.91 | FFAR3 (0.50) | FFAR3LCKFYNALDH1A1TP53 | |
| Acetic Acid SCHEMBL813642 | 0.91 | FFAR3 (0.50) | FFAR3LCKFYNALDH1A1TP53 | |
| Acetic Acid SCHEMBL309352 | 0.91 | FFAR3 (0.50) | FFAR3LCKFYNALDH1A1TP53 | |
| Acetic Acid SCHEMBL28959399 | 0.91 | FFAR3 (0.50) | FFAR3LCKFYNALDH1A1TP53 | |
| Methoxymethane SCHEMBL9344546 | 0.84 | ALDH1A1 (0.41) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| Ether SCHEMBL27914150 | 0.81 | ALDH1A1 (0.39) | FFAR3LCKFYNALDH1A1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102993003-B | A kind of preparation method of acetic ester | Changling Hunan Petrochemical Technology Development Co., Ltd. (CN) | 2016-01-06 | — | — | CN | disclosed |
| CN-102993008-B | Preparation method of polyol alkyl ether acetate | HUNAN CHANGLING PETROCHEMICAL TECHNOLOGY DEV CO LTD | 2015-05-06 | — | — | CN | disclosed |
| CN-102993008-A | Preparation method of polyol alkyl ether acetate | HUNAN CHANGLING PETROCHEMICAL S & T DEVELOPING CO LTD | 2013-03-27 | — | — | CN | disclosed |
| CN-102993003-A | Acetate preparation method | HUNAN CHANGLING PETROCHEMICAL S & T DEVELOPING CO LTD | 2013-03-27 | — | — | CN | disclosed |