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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 9/20 | 0.57 |
| ▸ | CDK2 | P24941 | 16/20 | 0.54 |
| ▸ | CDK1 | P06493 | 7/20 | 0.48 |
| ▸ | CDK4 | P11802 | 1/20 | 0.41 |
| ▸ | CDKL1 | Q00532 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3206999 | 0.80 | CDK2 (0.53) | KCNH2CDK2CDK1CDK4CDKL1 | |
| SCHEMBL279078 | 0.63 | KCNH2 (0.35) | KCNH2CDK2CDK1CDK4CDKL1 | |
| SCHEMBL1225015 | 0.57 | AURKA (0.37) | — | |
| SCHEMBL24856132 | 0.55 | CDK4 (0.57) | CDK2CDK1CDK4 | |
| SCHEMBL25082233 | 0.54 | CDK2 (0.34) | KCNH2CDK2CDK1CDK4CDKL1 | |
| SCHEMBL8546294 | 0.52 | HPGD (0.59) | — | |
| Acetic Acid SCHEMBL28151470 | 0.51 | ALDH1A1 (0.43) | — | |
| SCHEMBL24419982 | 0.51 | ALDH1A1 (0.31) | — | |
| SCHEMBL31207246 | 0.51 | PTGS2 (0.38) | — | |
| SCHEMBL10198951 | 0.50 | POLB (0.44) | — |
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-20100063049-A1 | 2-CARBOCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION | ASTRAZENECA AB (SE) | 2010-03-11 | — | — | US | disclosed |
| US-20090275567-A1 | 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION | ASTRAZENECA AB (SE) | 2009-11-05 | — | — | US | disclosed |
| EP-2029578-A1 | 2-CARBOCYCLOAMINO-4-IMIDAZ0LYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION | AstraZeneca AB (SE) | 2009-03-04 | — | — | EP | disclosed |
| WO-2007138277-A1 | 2-CARBOCYCLOAMINO-4-IMIDAZ0LYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION | ASTRAZENECA AB (SE) | 2007-12-06 | — | — | 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 (2 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-20100063049-A1 | 2-CARBOCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION | MKI67, CCNI, CDK2 | KCNH2 2260/4885CDK2 3/4885CDK1 38/4885 |
| US-20090275567-A1 | 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION | CCNI, MKI67, CDK2 | KCNH2 3454/4885CDK2 3/4885CDK1 22/4885 |
“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.