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 | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 2/20 | 0.39 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.37 |
| ▸ | PRKAG1 | P54619 | 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 | |
|---|---|---|---|---|
| SCHEMBL16401187 | 0.93 | KMT2A (0.45) | KMT2AMEN1CYP2D6CYP2C19POLB | |
| SCHEMBL28307604 | 0.88 | MKNK1 (0.49) | KMT2AMEN1CYP2D6CYP2C19POLB | |
| Acetic Acid SCHEMBL28115056 | 0.82 | MEN1 (0.54) | KMT2AMEN1CYP2D6CYP2C19POLB | |
| SCHEMBL16409420 | 0.81 | TDP1 (0.48) | KMT2AMEN1POLBSMN1; SMN2 | |
| SCHEMBL16400474 | 0.77 | CA2 (0.45) | KMT2AMEN1CYP2D6CYP2C19POLB | |
| SCHEMBL4045684 | 0.77 | MEN1 (0.45) | KMT2AMEN1CYP2D6CYP2C19POLB | |
| Acetic Acid SCHEMBL27853039 | 0.77 | HTR2C (0.43) | KMT2AMEN1CYP2D6CYP2C19POLB | |
| Acetic Acid SCHEMBL27852928 | 0.77 | POLB (0.56) | KMT2APOLBEPHX1PTGS2 | |
| SCHEMBL16409298 | 0.77 | SMN1; SMN2 (0.43) | KMT2AMEN1CYP2D6CYP2C19POLB | |
| SCHEMBL9727328 | 0.76 | KMT2A (0.47) | KMT2AMEN1CYP2D6CYP2C19POLB |
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-102459246-A | Isoxazol-3 (2H) -one analogs as therapeutic agents | ASTRAZENECA AB | 2012-05-16 | — | — | CN | disclosed |