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 | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 3/20 | 0.55 |
| ▸ | IKBKB | O14920 | 2/20 | 0.48 |
| ▸ | CHUK | O15111 | 2/20 | 0.48 |
| ▸ | PRKCI | P41743 | 3/20 | 0.45 |
| ▸ | PRKD3 | O94806 | 3/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.43 |
| ▸ | PRKACA | P17612 | 3/20 | 0.43 |
| ▸ | CSNK1A1 | P48729 | 3/20 | 0.43 |
| ▸ | CDK9 | P50750 | 3/20 | 0.43 |
| ▸ | PRKCQ | Q04759 | 3/20 | 0.43 |
| ▸ | MAP2K1 | Q02750 | 3/20 | 0.43 |
| ▸ | JAK2 | O60674 | 3/20 | 0.43 |
| ▸ | JAK3 | P52333 | 3/20 | 0.43 |
| ▸ | DAPK3 | O43293 | 2/20 | 0.43 |
| ▸ | PAK4 | O96013 | 2/20 | 0.43 |
| ▸ | CSF1R | P07333 | 2/20 | 0.43 |
| ▸ | RET | P07949 | 2/20 | 0.43 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.43 |
| ▸ | FLT1 | P17948 | 2/20 | 0.43 |
| ▸ | LTK | P29376 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL15645224 | 0.91 | NUDT1 (0.51) | NUDT1IKBKBCHUKPRKCIPRKD3 | |
| Hydrochloric Acid SCHEMBL28111964 | 0.89 | NUDT1 (0.50) | NUDT1IKBKBCHUKPRKCIPRKD3 | |
| SCHEMBL3254384 | 0.81 | NUDT1 (0.63) | NUDT1IKBKBCHUKPRKCIPRKD3 | |
| SCHEMBL30808539 | 0.81 | NUDT1 (0.66) | NUDT1IKBKBCHUKPRKCIPRKD3 | |
| SCHEMBL2606616 | 0.81 | NUDT1 (0.66) | NUDT1IKBKBCHUKPRKCIPRKD3 | |
| SCHEMBL1456822 | 0.79 | NUDT1 (0.60) | NUDT1IKBKBCHUKPRKCIPRKD3 | |
| SCHEMBL29702872 | 0.79 | NUDT1 (0.60) | NUDT1IKBKBCHUKPRKCIPRKD3 | |
| Acetic Acid SCHEMBL28826996 | 0.78 | NUDT1 (0.49) | NUDT1IKBKBCHUKPRKCIPRKD3 | |
| Acetic Acid SCHEMBL15646249 | 0.77 | CIT (0.40) | IKBKBCHUKROCK1MAPK8AURKB | |
| SCHEMBL12605418 | 0.75 | NUDT1 (0.60) | NUDT1IKBKBCHUKPRKCIPRKD3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106470993-B | The azepine quinazoline inhibitor of Atypical protein kinase C | 癌症研究科技有限公司 | 2019-08-27 | — | — | CN | disclosed |
| CN-106470993-A | The azepine quinazoline inhibitor of Atypical protein kinase C | 癌症研究科技有限公司 | 2017-03-01 | — | — | CN | disclosed |
| CN-105102456-A | Azaquinazoline inhibitors of atypical protein kinase C | IGNYTA INC | 2015-11-25 | — | — | CN | disclosed |