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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CAMK2D | Q13557 | 8/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KDM5A | P29375 | 1/20 | 0.33 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.33 |
| ▸ | STK33 | Q9BYT3 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 2/20 | 0.32 |
| ▸ | CNR2 | P34972 | 2/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.31 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
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 SCHEMBL7817612 | 0.86 | CAMK2D (0.49) | CAMK2DGSK3BRPS6KB1PIM1 | |
| Acetic Acid SCHEMBL7656316 | 0.86 | CAMK2D (0.37) | CAMK2DMEN1KMT2AGSK3BRPS6KB1 | |
| Acetic Acid SCHEMBL8368713 | 0.86 | STK33 (0.40) | CAMK2DMEN1KMT2AGSK3BKDM4E | |
| Acetic Acid SCHEMBL7659478 | 0.86 | CAMK2D (0.38) | CAMK2DMEN1KMT2AGSK3BCNR2 | |
| Acetic Acid SCHEMBL7661625 | 0.85 | CAMK2D (0.34) | CAMK2DMEN1KMT2AGSK3BRPS6KB1 | |
| Acetic Acid SCHEMBL8366860 | 0.85 | STK33 (0.39) | CAMK2DGSK3BSTK33 | |
| Acetic Acid SCHEMBL8368566 | 0.85 | CAMK2D (0.37) | CAMK2DMEN1KMT2AGSK3BKDM4E | |
| Acetic Acid SCHEMBL7659844 | 0.84 | CAMK2D (0.33) | CAMK2DMEN1KMT2AGSK3BRPS6KB1 | |
| Acetic Acid SCHEMBL8516677 | 0.84 | GSK3B (0.41) | CAMK2DGSK3BRPS6KB1PTGDR2 | |
| Acetic Acid SCHEMBL7661968 | 0.84 | TRPA1 (0.34) | CAMK2DGSK3BKDM4ERPS6KB1STK33 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999046260-A1 | NEW COMPOUNDS | ASTRAZENECA AB (SE) | 1999-09-16 | — | — | WO | claimed |
| WO-1999046260-A1 | NEW COMPOUNDS | ASTRAZENECA AB (SE) | 1999-09-16 | — | — | WO | disclosed |