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 | |
|---|---|---|---|---|
| ▸ | CLCN2 | P51788 | 7/20 | 0.53 |
| ▸ | METTL3 | Q86U44 | 2/20 | 0.53 |
| ▸ | SCN1A | P35498 | 3/20 | 0.49 |
| ▸ | SCN2A | Q99250 | 3/20 | 0.49 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.45 |
| ▸ | HTR3A | P46098 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
| ▸ | TTR | P02766 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
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 SCHEMBL16049910 | 0.87 | METTL3 (0.71) | CLCN2METTL3SCN1ASCN2ASCN3A | |
| SCHEMBL29481381 | 0.84 | METTL3 (0.76) | CLCN2METTL3PTGS2CHRM1MEN1 | |
| SCHEMBL4434232 | 0.84 | METTL3 (0.76) | CLCN2METTL3PTGS2CHRM1MEN1 | |
| Hydrochloric Acid SCHEMBL2582024 | 0.83 | METTL3 (0.74) | CLCN2METTL3PTGS2CHRM1MEN1 | |
| Meclofenamic Acid SCHEMBL28346421 | 0.77 | PTGS2 (0.67) | CLCN2METTL3PTGS2CHRM1MEN1 | |
| SCHEMBL27497982 | 0.77 | CLCN2 (0.78) | CLCN2METTL3PTGS2CHRM3CHRM1 | |
| SCHEMBL9576565 | 0.74 | SCN1A (0.63) | SCN1ASCN2ASCN3ACHRM2CHRM3 | |
| Acetic Acid SCHEMBL27749791 | 0.74 | TTR (0.64) | PTGS2HRH3AKR1B10ABCB11TTR | |
| Acetic Acid SCHEMBL28343505 | 0.74 | LMNA (0.54) | SCN1ASCN2ASCN3APTGS2CHRM2 | |
| Diclofenac SCHEMBL28033203 | 0.71 | PTGS2 (0.65) | CLCN2PTGS2AKR1B10ABCB11TTR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105669531-B | The prodrug of non-steroidal anti-inflammatory drugs with fast skin and membranes penetration speed and its new medical usage | 于崇曦 | 2019-05-07 | — | — | CN | disclosed |