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 | |
|---|---|---|---|---|
| ▸ | PIM1 | P11309 | 20/20 | 0.67 |
| ▸ | CSNK2B | P67870 | 20/20 | 0.67 |
| ▸ | CDC7 | O00311 | 14/20 | 0.67 |
| ▸ | CSNK2A1 | P68400 | 14/20 | 0.67 |
| ▸ | CSNK2A2 | P19784 | 10/20 | 0.65 |
| ▸ | PIM3 | Q86V86 | 10/20 | 0.65 |
| ▸ | PIM2 | Q9P1W9 | 10/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL1854013 | 0.95 | PIM1 (0.72) | PIM1CSNK2BCDC7CSNK2A1CSNK2A2 | |
| Acetic Acid SCHEMBL1868244 | 0.95 | PIM1 (0.64) | PIM1CSNK2BCDC7CSNK2A1CSNK2A2 | |
| SCHEMBL1852943 | 0.90 | PIM1 (0.69) | PIM1CSNK2BCDC7CSNK2A1CSNK2A2 | |
| SCHEMBL1849692 | 0.86 | PIM1 (0.74) | PIM1CSNK2BCDC7CSNK2A1CSNK2A2 | |
| SCHEMBL1850343 | 0.84 | PIM1 (0.75) | PIM1CSNK2BCDC7CSNK2A1CSNK2A2 | |
| SCHEMBL4278791 | 0.84 | PIM1 (0.66) | PIM1CSNK2BCDC7CSNK2A1CSNK2A2 | |
| SCHEMBL1851336 | 0.83 | PIM1 (0.63) | PIM1CSNK2BCDC7CSNK2A1CSNK2A2 | |
| SCHEMBL1854292 | 0.82 | PIM1 (0.70) | PIM1CSNK2BCDC7CSNK2A1CSNK2A2 | |
| SCHEMBL1851552 | 0.81 | PIM1 (0.71) | PIM1CSNK2BCDC7CSNK2A1CSNK2A2 | |
| SCHEMBL4552975 | 0.81 | PIM1 (0.58) | PIM1CSNK2BCDC7CSNK2A1CSNK2A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2097419-B1 | BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS | EXELIXIS INC (US) | 2011-05-25 | — | — | EP | disclosed |