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 | |
|---|---|---|---|---|
| ▸ | CIT | O14578 | 1/20 | 0.44 |
| ▸ | CHUK | O15111 | 5/20 | 0.42 |
| ▸ | IKBKB | O14920 | 3/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | KDM5B | Q9UGL1 | 3/20 | 0.34 |
| ▸ | KDM5A | P29375 | 2/20 | 0.34 |
| ▸ | INSR | P06213 | 2/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.34 |
| ▸ | CAMKK2 | Q96RR4 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 3/20 | 0.32 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.32 |
| ▸ | NQO2 | P16083 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.32 |
| ▸ | CRHBP | P24387 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15645163 | 0.92 | CHUK (0.44) | CITCHUKIKBKBNOTUMCSNK1D | |
| SCHEMBL16908342 | 0.83 | CHUK (0.44) | CITCHUKIKBKBKDM5BKDM5A | |
| Acetic Acid SCHEMBL15646249 | 0.82 | CIT (0.40) | CITCHUKIKBKBINSRMAPK8 | |
| SCHEMBL19880896 | 0.79 | CHUK (0.34) | CITCHUKIKBKBINSRMAPK8 | |
| SCHEMBL15646519 | 0.79 | IKBKB (0.44) | CITCHUKIKBKBNOTUMCSNK1D | |
| SCHEMBL15646520 | 0.76 | IKBKB (0.42) | CITCHUKIKBKBCSNK1DMAPK14 | |
| SCHEMBL16908237 | 0.74 | CCNK (0.44) | CITCHUKIKBKBCCNKCDK12 | |
| Acetic Acid SCHEMBL28045105 | 0.73 | NUDT1 (0.55) | CITCHUKIKBKBMAPK14MAPK8 | |
| SCHEMBL17679777 | 0.73 | CCNK (0.36) | CITCHUKIKBKBINSRMAPK8 | |
| Acetic Acid SCHEMBL15645574 | 0.73 | PBK (0.53) | CHUKINSRMAPK8CAMKK2L3MBTL1 |
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-105102456-A | Azaquinazoline inhibitors of atypical protein kinase C | IGNYTA INC | 2015-11-25 | — | — | CN | disclosed |