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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.46 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.39 |
| ▸ | TOP2A | P11388 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL3601005 | 0.84 | KCNH2 (0.60) | KCNH2SLC2A1TOP2A | |
| SCHEMBL3606186 | 0.84 | KCNH2 (0.51) | KCNH2SLC2A1TOP2A | |
| SCHEMBL3616449 | 0.83 | KCNH2 (0.65) | KCNH2SLC2A1TOP2A | |
| SCHEMBL3608144 | 0.83 | KCNH2 (0.65) | KCNH2SLC2A1TOP2A | |
| Benzoic Acid SCHEMBL3614025 | 0.80 | KCNH2 (0.51) | KCNH2SLC2A1TOP2A | |
| SCHEMBL3615839 | 0.78 | KCNH2 (0.54) | KCNH2SLC2A1TOP2A | |
| SCHEMBL3620006 | 0.78 | KCNH2 (0.54) | KCNH2SLC2A1TOP2A | |
| Benzoic Acid SCHEMBL2821422 | 0.77 | KCNH2 (0.61) | KCNH2SLC2A1TOP2A | |
| SCHEMBL2819749 | 0.77 | KCNH2 (0.45) | KCNH2SLC2A1TOP2A | |
| SCHEMBL3608445 | 0.76 | KCNH2 (0.46) | KCNH2TOP2A |
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 |
|---|---|---|---|---|---|---|---|
| US-20100087424-A1 | TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS | GLAXO GROUP LIMITED | 2010-04-08 | — | — | US | 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-20100087424-A1 | TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS | NRDC, NDC1, NANS | KCNH2 2914/4885SLC2A1 4080/4885TOP2A 78/4885 |
“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.