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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 5/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
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 SCHEMBL1686096 | 0.90 | KMT2A (0.47) | KMT2AALDH1A1LMNAPOLBUSP2 | |
| Trifluoroacetic Acid SCHEMBL29024786 | 0.88 | ALDH1A1 (0.39) | KMT2AALDH1A1LMNAPOLBUSP2 | |
| Acetic Acid SCHEMBL1532391 | 0.88 | KMT2A (0.49) | KMT2AALDH1A1LMNAPOLBUSP2 | |
| Acetone SCHEMBL13736413 | 0.82 | KMT2A (0.50) | KMT2AALDH1A1LMNAPOLBUSP2 | |
| Heptane SCHEMBL11109441 | 0.82 | EPHX1 (0.46) | KMT2AALDH1A1LMNAPOLBUSP2 | |
| Propionic Acid SCHEMBL28482575 | 0.81 | ALDH1A1 (0.47) | KMT2AALDH1A1LMNAPOLBUSP2 | |
| Alcohol SCHEMBL5743324 | 0.78 | KMT2A (0.41) | KMT2AALDH1A1LMNAPOLBUSP2 | |
| Water SCHEMBL5664 | 0.78 | — | — | |
| Methacrylic Acid SCHEMBL9065905 | 0.78 | KMT2A (0.44) | KMT2AALDH1A1LMNAPOLBUSP2 | |
| Water SCHEMBL29015126 | 0.76 | — | — |
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-114002352-B | Separation and detection method of folic acid and optical isomer thereof | 四川汇宇制药股份有限公司 | 2023-01-24 | — | — | CN | disclosed |
| CN-112649524-B | Method for separating and detecting folic acid and folic acid optical isomer in folic acid | 重庆华邦胜凯制药有限公司 | 2022-05-17 | — | — | CN | disclosed |
| CN-114002352-A | Separation and detection method of folic acid and optical isomer thereof | 四川汇宇制药股份有限公司 | 2022-02-01 | — | — | CN | disclosed |
| CN-112649524-A | Method for separating and detecting folic acid and folic acid optical isomer in folic acid | 重庆华邦胜凯制药有限公司 | 2021-04-13 | — | — | CN | disclosed |