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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 2/20 | 0.44 |
| ▸ | MTOR | P42345 | 3/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | CDK4 | P11802 | 1/20 | 0.42 |
| ▸ | CCND3 | P30281 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | SYK | P43405 | 5/20 | 0.42 |
| ▸ | ALK | Q9UM73 | 4/20 | 0.42 |
| ▸ | KDR | P35968 | 3/20 | 0.42 |
| ▸ | JAK2 | O60674 | 2/20 | 0.42 |
| ▸ | JAK3 | P52333 | 2/20 | 0.42 |
| ▸ | EGFR | P00533 | 2/20 | 0.42 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.42 |
| ▸ | FLT3 | P36888 | 2/20 | 0.42 |
| ▸ | BTK | Q06187 | 2/20 | 0.42 |
| ▸ | CDK2 | P24941 | 2/20 | 0.42 |
| ▸ | RET | P07949 | 2/20 | 0.42 |
| ▸ | CDC7 | O00311 | 1/20 | 0.42 |
| ▸ | PLK4 | O00444 | 1/20 | 0.42 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1741976 | 0.93 | BRD4 (0.48) | BRD4PIM1CDK4CCND3GSK3B | |
| SCHEMBL3496271 | 0.88 | ALK (0.47) | BRD4MTORSYKALKKDR | |
| SCHEMBL3496005 | 0.87 | PRKCQ (0.46) | BRD4CDK4CCND3SYKALK | |
| SCHEMBL1743374 | 0.87 | BRD4 (0.49) | BRD4SYKALKJAK2JAK3 | |
| SCHEMBL1743504 | 0.86 | BRD4 (0.48) | BRD4PIM1CDK4CCND3GSK3B | |
| SCHEMBL13268479 | 0.86 | BRD4 (0.55) | BRD4PIM1CDK4CCND3GSK3B | |
| SCHEMBL3496272 | 0.86 | SYK (0.59) | MTORSYKJAK2JAK3FLT3 | |
| SCHEMBL13248983 | 0.85 | BRD4 (0.46) | BRD4MTORPIM1CDK4CCND3 | |
| SCHEMBL13248962 | 0.85 | BRD4 (0.47) | BRD4MTORPIM1CDK4CCND3 | |
| SCHEMBL1743509 | 0.84 | BRD4 (0.46) | BRD4MTORCDK4SYKALK |
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 |
|---|---|---|---|---|---|---|---|
| US-20100130486-A1 | CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS | RIGEL PHARMACEUTICALS, INC. | 2010-05-27 | — | — | US | claimed |
| US-8993585-B2 | Cyclic amine substituted pyrimidinediamines as PKC inhibitors | RIGEL PHARMACEUTICALS, INC. (US) | 2015-03-31 | — | — | US | disclosed |
| US-20100130486-A1 | CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS | RIGEL PHARMACEUTICALS, INC. | 2010-05-27 | — | — | 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-20100130486-A1 | CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS | PRKCH, PKD2, PRKCQ | BRD4 1173/4885MTOR 220/4885PIM1 304/4885 |
“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.