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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | APAF1 | O14727 | 1/20 | 0.40 |
| ▸ | RGS12 | O14924 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL23698504 | 1.00 | MEN1 (0.45) | MEN1KMT2AHSP90AA1SMN1; SMN2APAF1 | |
| Bicarbonate SCHEMBL23698582 | 0.96 | MEN1 (0.43) | MEN1KMT2AHSP90AA1SMN1; SMN2APAF1 | |
| Bicarbonate SCHEMBL21834780 | 0.96 | MEN1 (0.43) | MEN1KMT2AHSP90AA1SMN1; SMN2APAF1 | |
| Bicarbonate SCHEMBL23698378 | 0.96 | MEN1 (0.43) | MEN1KMT2AHSP90AA1SMN1; SMN2APAF1 | |
| Acetic Acid SCHEMBL23698480 | 0.95 | KMT2A (0.41) | MEN1KMT2AHSP90AA1SMN1; SMN2APAF1 | |
| Bicarbonate SCHEMBL23698448 | 0.91 | KMT2A (0.39) | MEN1KMT2AHSP90AA1SMN1; SMN2APAF1 | |
| SCHEMBL5295972 | 0.91 | ABCB11 (0.46) | — | |
| SCHEMBL5813633 | 0.91 | ABCB11 (0.46) | — | |
| SCHEMBL5304009 | 0.91 | ABCB11 (0.46) | — | |
| SCHEMBL5301214 | 0.91 | ABCB11 (0.46) | — |
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-115397814-A | Amidate compound, method for producing same, blocking agent dissociation catalyst, and thermosetting resin composition | 广荣化学株式会社 | 2022-11-25 | — | — | CN | disclosed |