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 | |
|---|---|---|---|---|
| ▸ | DYRK3 | O43781 | 2/20 | 0.66 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.66 |
| ▸ | MARK3 | P27448 | 2/20 | 0.66 |
| ▸ | PLK1 | P53350 | 2/20 | 0.66 |
| ▸ | MINK1 | Q8N4C8 | 2/20 | 0.66 |
| ▸ | MAP4K5 | Q9Y4K4 | 2/20 | 0.66 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.66 |
| ▸ | PIM1 | P11309 | 1/20 | 0.66 |
| ▸ | CAMK2B | Q13554 | 1/20 | 0.66 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.66 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.66 |
| ▸ | SRPK1 | Q96SB4 | 1/20 | 0.66 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.66 |
| ▸ | MAP3K20 | Q9NYL2 | 1/20 | 0.66 |
| ▸ | S1PR1 | P21453 | 16/20 | 0.42 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.38 |
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 SCHEMBL2340479 | 1.00 | DYRK3 (0.66) | DYRK3MAP4K4MARK3PLK1MINK1 | |
| Acetic Acid SCHEMBL1967757 | 1.00 | DYRK3 (0.66) | DYRK3MAP4K4MARK3PLK1MINK1 | |
| Acetic Acid SCHEMBL1967764 | 1.00 | DYRK3 (0.66) | DYRK3MAP4K4MARK3PLK1MINK1 | |
| SCHEMBL2344206 | 0.98 | DYRK3 (0.66) | DYRK3MAP4K4MARK3PLK1MINK1 | |
| Acetic Acid SCHEMBL2339131 | 0.92 | DYRK3 (0.66) | DYRK3MAP4K4MARK3PLK1MINK1 | |
| Acetic Acid SCHEMBL1964609 | 0.92 | DYRK3 (0.66) | DYRK3MAP4K4MARK3PLK1MINK1 | |
| Acetic Acid SCHEMBL2339184 | 0.92 | DYRK3 (0.66) | DYRK3MAP4K4MARK3PLK1MINK1 | |
| SCHEMBL1967762 | 0.91 | DYRK3 (0.58) | DYRK3MAP4K4MARK3PLK1MINK1 | |
| SCHEMBL2340483 | 0.91 | DYRK3 (0.58) | DYRK3MAP4K4MARK3PLK1MINK1 | |
| SCHEMBL2340623 | 0.89 | DYRK3 (0.67) | DYRK3MAP4K4MARK3PLK1MINK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011071570-A1 | NOVEL OXADIAZOLE COMPOUNDS | ABBOTT LABORATORIES (US) | 2011-06-16 | — | — | WO | disclosed |