Known targets — ChEMBL curated mechanism
CACNA1CCACNA1DCACNA1FCACNA1SDPP4HTR1BHTR1D
The experimentally established mechanism targets of Benzoic 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 | |
|---|---|---|---|---|
| ▸ | CCNE2 | O96020 | 6/20 | 0.61 |
| ▸ | CCNE1 | P24864 | 6/20 | 0.61 |
| ▸ | CDK2 | P24941 | 6/20 | 0.61 |
| ▸ | GSK3B | P49841 | 6/20 | 0.61 |
| ▸ | ATR | Q13535 | 14/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | PRKDC | P78527 | 3/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL31065673 | 0.94 | GSK3B (0.68) | CCNE2CCNE1CDK2GSK3BATR | |
| SCHEMBL411691 | 0.94 | GSK3B (0.68) | CCNE2CCNE1CDK2GSK3BATR | |
| Hydrochloric Acid SCHEMBL411919 | 0.94 | GSK3B (0.67) | CCNE2CCNE1CDK2GSK3BATR | |
| Hydrochloric Acid SCHEMBL412197 | 0.94 | GSK3B (0.67) | CCNE2CCNE1CDK2GSK3BATR | |
| SCHEMBL411037 | 0.92 | GSK3B (0.69) | CCNE2CCNE1CDK2GSK3BATR | |
| Hydrochloric Acid SCHEMBL410806 | 0.91 | GSK3B (0.68) | CCNE2CCNE1CDK2GSK3BATR | |
| SCHEMBL410132 | 0.91 | GSK3B (0.68) | CCNE2CCNE1CDK2GSK3BATR | |
| SCHEMBL407802 | 0.87 | GSK3B (0.71) | CCNE2CCNE1CDK2GSK3BATR | |
| Hydrochloric Acid SCHEMBL411390 | 0.86 | GSK3B (0.70) | CCNE2CCNE1CDK2GSK3BATR | |
| SCHEMBL411424 | 0.85 | GSK3B (0.62) | CCNE2CCNE1CDK2GSK3BATR |
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-20130123275-A1 | PYRAZINE DERIVATIVES | ASTRAZENECA AB (SE) | 2013-05-16 | — | — | US | disclosed |
| US-8198285-B2 | Pyrazine derivatives | ASTRAZENECA AB (SE) | 2012-06-12 | — | — | US | disclosed |
| US-20120022082-A1 | PYRAZINE DERIVATIVES | ASTRAZENECA AB (SE) | 2012-01-26 | — | — | US | disclosed |
| WO-2011089416-A1 | PYRAZINE DERIVATIVES | ASTRAZENECA AB (SE) | 2011-07-28 | — | — | 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-20130123275-A1 | PYRAZINE DERIVATIVES | IL5, BMP2, PTH1R | CCNE2 2254/4885CCNE1 1774/4885CDK2 1458/4885 |
| US-20120022082-A1 | PYRAZINE DERIVATIVES | IL5, BMP2, PTH1R | CCNE2 2254/4885CCNE1 1774/4885CDK2 1458/4885 |
“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.