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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 3/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.31 |
| ▸ | PPARG | P37231 | 6/20 | 0.31 |
| ▸ | PPARD | Q03181 | 6/20 | 0.31 |
| ▸ | PPARA | Q07869 | 6/20 | 0.31 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.31 |
| ▸ | TSHR | P16473 | 4/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | TLR2 | O60603 | 2/20 | 0.31 |
| ▸ | FABP4 | P15090 | 2/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 2/20 | 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 SCHEMBL28427571 | 0.95 | GBA2 (0.34) | — | |
| Oxalic Acid SCHEMBL28782720 | 0.92 | KDM4E (0.34) | KCNH2MEN1KMT2AGPR84PPARG | |
| Malonic Acid SCHEMBL27801502 | 0.90 | AKR1B1 (0.33) | KCNH2AKR1B1MEN1KMT2AGPR84 | |
| Bicarbonate SCHEMBL29505196 | 0.90 | GBA2 (0.35) | — | |
| SCHEMBL1101241 | 0.89 | GBA2 (0.32) | CYP1A2CYP2C19ALDH1A1 | |
| Glycine SCHEMBL28965454 | 0.88 | GPR84 (0.34) | KCNH2AKR1B1MEN1KMT2AGPR84 | |
| SCHEMBL3817691 | 0.88 | PTGS1 (0.34) | HSP90AA1SMN1; SMN2TSHRCYP1A2CYP2C19 | |
| Bromide SCHEMBL29690657 | 0.88 | ALDH1A1 (0.34) | HSP90AA1SMN1; SMN2CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL10456038 | 0.88 | PTGS1 (0.34) | HSP90AA1SMN1; SMN2TSHRCYP1A2CYP2C19 | |
| SCHEMBL29096013 | 0.88 | PTGS1 (0.34) | HSP90AA1SMN1; SMN2TSHRCYP1A2CYP2C19 |
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-114018844-A | Method for extracting and measuring paeoniflorin in radix paeoniae rubra by pyridine ionic liquid | 福建立标低碳研究院有限公司 | 2022-02-08 | — | — | CN | claimed |
| CN-114018844-A | Method for extracting and measuring paeoniflorin in radix paeoniae rubra by pyridine ionic liquid | 福建立标低碳研究院有限公司 | 2022-02-08 | — | — | CN | disclosed |
| CN-114018844-A | Method for extracting and measuring paeoniflorin in radix paeoniae rubra by pyridine ionic liquid | 福建立标低碳研究院有限公司 | 2022-02-08 | — | — | CN | disclosed |
| CN-101337938-B | Method for synthesizing acetate ionic liquid | CHINESE TEXTILE ACADEMY | 2012-03-21 | — | — | CN | disclosed |
| CN-101337938-A | Method for synthesizing acetate ionic liquid | CHINESE TEXTILE ACADEMY (CN) | 2009-01-07 | — | — | CN | disclosed |