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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
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 SCHEMBL27420785 | 1.00 | PTGS2 (0.42) | PTGS2PTGS1KMT2AHPGDSRC | |
| Acetic Acid SCHEMBL27542169 | 1.00 | PTGS2 (0.42) | PTGS2PTGS1KMT2AHPGDSRC | |
| SCHEMBL7711581 | 0.96 | KMT2A (0.44) | PTGS2PTGS1KMT2ASRCHCAR2 | |
| SCHEMBL8079979 | 0.96 | KMT2A (0.44) | PTGS2PTGS1KMT2ASRCHCAR2 | |
| SCHEMBL4909298 | 0.96 | KMT2A (0.44) | PTGS2PTGS1KMT2ASRCHCAR2 | |
| SCHEMBL8076971 | 0.84 | PTGS1 (0.51) | PTGS2PTGS1HPGDCYP3A4LMNA | |
| SCHEMBL27420787 | 0.81 | PTGS2 (0.51) | PTGS2PTGS1KMT2AHPGDCYP2C19 | |
| SCHEMBL8076528 | 0.81 | KMT2A (0.41) | PTGS2KMT2AHPGDLMNAALDH1A1 | |
| SCHEMBL29724156 | 0.81 | PTGS2 (0.70) | PTGS2PTGS1KMT2AHPGDCYP2C19 | |
| SCHEMBL27750532 | 0.81 | LMNA (0.54) | PTGS2PTGS1HPGDCYP3A4LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1267560-C | Process for preparing stereoisomer carboxylate | BASF AG (DE) | 2006-08-02 | — | — | CN | disclosed |
| CN-1266904-A | Process for preparing stereoisomer carboxylate | BASF AG (DE) | 2000-09-20 | — | — | CN | disclosed |