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 | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.45 |
| ▸ | CES1 | P23141 | 2/20 | 0.45 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | ALPL | P05186 | 1/20 | 0.42 |
| ▸ | ALPG | P10696 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TAS2R10 | Q9NYW0 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL27769828 | 0.93 | CES2 (0.45) | CES2CES1DNM1POLBALPL | |
| Acetic Acid SCHEMBL6014071 | 0.90 | DNM1 (0.47) | CES2CES1DNM1POLBALPL | |
| Oxalic Acid SCHEMBL27769830 | 0.89 | DNM1 (0.44) | CES2CES1DNM1POLBMEN1 | |
| Acetic Acid SCHEMBL3838796 | 0.87 | DNM1 (0.57) | CES2CES1DNM1MEN1KMT2A | |
| Tetrabuthylammonium SCHEMBL3646008 | 0.87 | DNM1 (0.49) | CES2CES1DNM1MEN1KMT2A | |
| Acetic Acid SCHEMBL7103925 | 0.87 | DNM1 (0.57) | CES2CES1DNM1MEN1KMT2A | |
| Acetic Acid SCHEMBL22117370 | 0.87 | ALPL (0.48) | CES2CES1POLBALPLALPG | |
| SCHEMBL991989 | 0.87 | DNM1 (0.52) | DNM1MEN1KMT2ATP53MAPK1 | |
| Hydrogen Sulfide SCHEMBL5999599 | 0.87 | DNM1 (0.52) | DNM1MEN1KMT2ATP53MAPK1 | |
| Acetic Acid SCHEMBL306020 | 0.85 | LMNA (0.49) | CES2CES1POLBALPLALPG |
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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210230371-A1 | METHOD FOR PREPARING ALIPHATIC POLYTHIOETHER | UNIV ZHEJIANG (CN) | 2021-07-29 | — | — | US | claimed |
| CN-110358069-B | Polyester with selenium-containing main chain and preparation method thereof | 浙江大学 | 2020-05-26 | — | — | CN | claimed |
| CN-110358069-A | A kind of main chain polyester containing selenium and preparation method thereof | 浙江大学 | 2019-10-22 | — | — | CN | claimed |
| CN-110204724-A | A method of preparing carbonyl sulfide co-production sulfur-containing polymer | 浙江大学 | 2019-09-06 | — | — | CN | claimed |
| CN-109180937-A | A method of preparing aliphatic poly thioether | 浙江大学 | 2019-01-11 | — | — | CN | claimed |
| CN-107629031-A | A kind of method for preparing ring list sulfocarbonate | 常熟理工学院 | 2018-01-26 | — | — | CN | claimed |
| CN-107602528-A | Method for preparing five-membered ring monothiocarbonate | 常熟理工学院 | 2018-01-19 | — | — | CN | claimed |
| CN-106866952-A | A kind of method for preparing Polythiocarbonate | 浙江大学 | 2017-06-20 | — | — | CN | claimed |
| CN-102786677-B | Carbon dioxide based high polymer material with crystallization performance | UNIV DALIAN TECH | 2014-04-23 | — | — | CN | claimed |
| CN-102786677-A | Carbon dioxide based high polymer material with crystallization performance | UNIV DALIAN TECH | 2012-11-21 | — | — | CN | claimed |
| CN-102229745-A | Crystallizable polycarbonate material based on carbon dioxide and preparation method thereof | UNIV DALIAN TECH | 2011-11-02 | — | — | CN | claimed |
| CN-100532367-C | High stack-density sheet structural melamine cyanurate and production method and application for flame-resistant material | HANGZHOU JLS FLAME RETARDANTS (CN) | 2009-08-26 | — | — | CN | claimed |
| CN-101037417-A | High stack-density sheet structural melamine cyanurate and production method and application for flame-resistant material | HANGZHOU JLS FLAME RETARDANTS (CN) | 2007-09-19 | — | — | CN | claimed |
| US-11440995-B2 | Method for preparing aliphatic polythioether | UNIV ZHEJIANG (CN) | 2022-09-13 | — | — | US | disclosed |
| US-20210230371-A1 | METHOD FOR PREPARING ALIPHATIC POLYTHIOETHER | UNIV ZHEJIANG (CN) | 2021-07-29 | — | — | US | disclosed |
| CN-110358069-B | Polyester with selenium-containing main chain and preparation method thereof | 浙江大学 | 2020-05-26 | — | — | CN | disclosed |
| CN-101037417-A | High stack-density sheet structural melamine cyanurate and production method and application for flame-resistant material | HANGZHOU JLS FLAME RETARDANTS (CN) | 2007-09-19 | — | — | CN | disclosed |
| CN-1834138-A | Prepn. of expanding halide-free fire-retardant and products thereof | JIEERSI FIRE RETARDANT CHEMICA (CN) | 2006-09-20 | — | — | CN | disclosed |
| US-20030233008-A1 | Process for the preparation of carboxylic benzyl esters | BAYER AKTIENGESELLSCHAFT (DE) | 2003-12-18 | — | — | US | disclosed |
| EP-1371627-A1 | Process for the preparation of carboxylic acid benzyl esters | Bayer Aktiengesellschaft (DE) | 2003-12-17 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030233008-A1 | Process for the preparation of carboxylic benzyl esters | CPS1, BCAT2, BCAT1 | CES2 42/4885CES1 147/4885DNM1 663/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.