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 | |
|---|---|---|---|---|
| ▸ | HNF4A | P41235 | 1/20 | 0.51 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 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 | |
|---|---|---|---|---|
| SCHEMBL27920000 | 0.91 | HDAC4 (0.50) | HNF4AHDAC4HDAC2HDAC8HDAC6 | |
| SCHEMBL15271988 | 0.87 | HDAC4 (0.54) | HNF4AHDAC4HDAC2HDAC8HDAC6 | |
| SCHEMBL28824591 | 0.86 | HNF4A (0.47) | HNF4AHDAC4HDAC2HDAC8HDAC6 | |
| Trifluoromethanesulfonic Acid SCHEMBL28044747 | 0.80 | PTPN1 (0.47) | HNF4AHDAC4HDAC2HDAC8HDAC6 | |
| Acetic Acid SCHEMBL31401913 | 0.75 | HNF4A (0.53) | HNF4AHDAC4HDAC2HDAC8HDAC6 | |
| Acetic Acid SCHEMBL27275667 | 0.74 | BCAT2 (0.54) | HNF4AHDAC4HDAC2HDAC8HDAC6 | |
| Acetic Acid SCHEMBL27559163 | 0.74 | SMN1; SMN2 (0.64) | HDAC8SMN1; SMN2MAPTPTGS2ALDH1A1 | |
| SCHEMBL28926991 | 0.74 | SLC6A4 (0.39) | HNF4AHDAC4HDAC2HDAC8HDAC6 | |
| Acetic Acid SCHEMBL28322406 | 0.74 | SLC6A4 (0.50) | SMN1; SMN2MAPTPTGS2HSP90AA1HSP90AB1 | |
| SCHEMBL2827858 | 0.73 | HNF4A (0.72) | HNF4AHDAC4HDAC2HDAC8HDAC6 |
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-103102251-B | Radiation-ray sensitive composition | MITSUBISHI GAS CHEMICAL INC. (JP) | 2016-01-20 | — | — | CN | disclosed |