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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 5/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11069408 | 0.82 | KMT2A (0.50) | KMT2ATSHRHPGDMAPK1USP2 | |
| SCHEMBL10872915 | 0.76 | HPGD (0.63) | KMT2ATSHRHPGDMAPK1USP2 | |
| SCHEMBL1752520 | 0.74 | USP2 (0.40) | KMT2ATSHRHPGDMAPK1USP2 | |
| SCHEMBL27510285 | 0.72 | HPGD (0.68) | KMT2ATSHRHPGDMAPK1USP2 | |
| SCHEMBL12926005 | 0.72 | HPGD (0.57) | KMT2ATSHRHPGDMAPK1USP2 | |
| SCHEMBL11093155 | 0.71 | KMT2A (0.44) | KMT2ATSHRHPGDMAPK1USP2 | |
| SCHEMBL15332147 | 0.70 | USP2 (0.63) | KMT2ATSHRHPGDMAPK1USP2 | |
| SCHEMBL28375918 | 0.69 | USP2 (0.50) | KMT2ATSHRHPGDMAPK1USP2 | |
| SCHEMBL24403122 | 0.69 | KMT2A (0.61) | KMT2ATSHRHPGDMAPK1USP2 | |
| SCHEMBL14398169 | 0.68 | USP2 (0.40) | KMT2ATSHRHPGDMAPK1USP2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4465843-A | ALKYLATION, SAPONIFICATION, DECARBOXYLATION, AND BENZOYLATION OF 3,S-SIETHOXYCARBONYL-4-METHYL-2-PYRROLE ACETATE | LABORATORIES PHARMEDICAL SA (LU) | 1984-08-14 | — | — | US | disclosed |