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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 9/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.43 |
| ▸ | MAPK13 | O15264 | 11/20 | 0.41 |
| ▸ | RET | P07949 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1710409 | 0.98 | MAPK14 (0.45) | MAPK14CYP2C9MAPK13RET | |
| SCHEMBL2394213 | 0.98 | MAPK14 (0.45) | MAPK14CYP2C9MAPK13RET | |
| SCHEMBL1710723 | 0.98 | MAPK14 (0.45) | MAPK14CYP2C9MAPK13RET | |
| Bromide SCHEMBL1710422 | 0.97 | MAPK14 (0.44) | MAPK14CYP2C9MAPK13RET | |
| SCHEMBL1710577 | 0.91 | MAPK14 (0.41) | MAPK14CYP2C9MAPK13RET | |
| SCHEMBL2392841 | 0.91 | MAPK14 (0.44) | MAPK14CYP2C9MAPK13RET | |
| SCHEMBL1724634 | 0.91 | MAPK14 (0.44) | MAPK14CYP2C9MAPK13RET | |
| SCHEMBL2392281 | 0.89 | MAPK14 (0.47) | MAPK14CYP2C9MAPK13 | |
| SCHEMBL1722715 | 0.88 | MAPK14 (0.44) | MAPK14CYP2C9MAPK13 | |
| SCHEMBL2416687 | 0.87 | MAPK14 (0.46) | MAPK14CYP2C9MAPK13 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8012980-B2 | Isoquinolinone derivatives | ASTRAZENECA AB (SE) | 2011-09-06 | — | — | US | disclosed |
| EP-2344472-A1 | ISOQUINOLINONE DERIVATIVES | AstraZeneca AB (SE) | 2011-07-20 | — | — | EP | disclosed |
| US-20100099665-A1 | ISOQUINOLINONE DERIVATIVES | ASTRAZENECA AB (SE) | 2010-04-22 | — | — | US | disclosed |
| WO-2010039079-A1 | ISOQUINOLINONE DERIVATIVES | ASTRAZENECA AB (SE) | 2010-04-08 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100099665-A1 | ISOQUINOLINONE DERIVATIVES | SDHA, NQO1, CYP3A5 | MAPK14 3792/4885CYP2C9 98/4885MAPK13 4717/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.