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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | PTGER2 | P43116 | 7/20 | 0.41 |
| ▸ | PTGER4 | P35408 | 3/20 | 0.41 |
| ▸ | PTGER3 | P43115 | 3/20 | 0.41 |
| ▸ | TLR4 | O00206 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.36 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.36 |
| ▸ | RARB | P10826 | 1/20 | 0.36 |
| ▸ | RARG | P13631 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29232855 | 0.84 | HTT (0.46) | TSHRHTTSMN1; SMN2PTGER2PTGER4 | |
| SCHEMBL29232854 | 0.84 | HTT (0.46) | TSHRHTTSMN1; SMN2PTGER2PTGER4 | |
| SCHEMBL5507321 | 0.83 | HTT (0.48) | TSHRHTTSMN1; SMN2PTGER2PTGER4 | |
| Acetic Acid SCHEMBL31534028 | 0.83 | HTT (0.62) | TSHRHTTSMN1; SMN2PTGER2PTGER4 | |
| Acetic Acid SCHEMBL18130856 | 0.80 | PTGER2 (0.44) | TSHRHTTSMN1; SMN2PTGER2PTGER4 | |
| Acetic Acid SCHEMBL4134829 | 0.80 | PTGER2 (0.44) | TSHRHTTSMN1; SMN2PTGER2PTGER4 | |
| Acetic Acid SCHEMBL1482741 | 0.80 | PTGER2 (0.44) | TSHRHTTSMN1; SMN2PTGER2PTGER4 | |
| Acetic Acid Methyl Ester SCHEMBL28464007 | 0.80 | HTT (0.49) | TSHRHTTSMN1; SMN2PTGER2PTGER4 | |
| SCHEMBL3112057 | 0.78 | HTT (0.67) | TSHRHTTSMN1; SMN2PTGER2PTGER4 | |
| SCHEMBL30797361 | 0.78 | HTT (0.67) | TSHRHTTSMN1; SMN2PTGER2PTGER4 |
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-119546194-A | Improvements in or relating to organic compounds | 奇华顿股份有限公司 | 2025-02-28 | — | — | CN | disclosed |