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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.55 |
| ▸ | CES1 | P23141 | 2/20 | 0.55 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.52 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.52 |
| ▸ | PAM | P19021 | 2/20 | 0.51 |
| ▸ | DGKA | P23743 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | TBXAS1 | P24557 | 3/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.49 |
| ▸ | NAMPT | P43490 | 1/20 | 0.47 |
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 SCHEMBL6130381 | 0.98 | CES2 (0.54) | CES2CES1CYP4F2CYP4A11PAM | |
| Cetyl Palmitate SCHEMBL8430810 | 0.89 | TSHR (0.60) | CES2CES1DGKAALDH1A1TP53 | |
| Benzoic Acid SCHEMBL27584260 | 0.88 | TSHR (0.59) | CES2CES1DGKAALDH1A1TP53 | |
| Toluene SCHEMBL6270207 | 0.87 | CYP4F2 (0.55) | CES2CES1CYP4F2CYP4A11PAM | |
| Toluene SCHEMBL4749551 | 0.87 | CYP4F2 (0.55) | CES2CES1CYP4F2CYP4A11PAM | |
| Benzene SCHEMBL9428840 | 0.87 | DGKA (0.67) | PAMDGKAALDH1A1TSHR | |
| Azelaic Acid SCHEMBL5701685 | 0.85 | TSHR (0.56) | PAMDGKATP53TSHRPLA2G4B | |
| Aminobenzoic Acid SCHEMBL27902867 | 0.85 | CYP1A2 (0.53) | PAMDGKAALDH1A1TP53TSHR | |
| Ethyl Tetradecanoate SCHEMBL27519965 | 0.85 | DGKA (0.64) | PAMDGKAALDH1A1TSHR | |
| Benzene SCHEMBL27995475 | 0.85 | DGKA (0.64) | PAMDGKAALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2552969-A1 | INJECTABLE DRUG DELIVERY FORMULATION | SurModics, Inc. (US) | 2013-02-06 | — | — | EP | disclosed |
| WO-2011123416-A1 | INJECTABLE DRUG DELIVERY FORMULATION | SURMODICS, INC. (US) | 2011-10-06 | — | — | WO | disclosed |
| US-20110236454-A1 | INJECTABLE DRUG DELIVERY FORMULATION | SURMODICS, INC. (US) | 2011-09-29 | — | — | 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-20110236454-A1 | INJECTABLE DRUG DELIVERY FORMULATION | CD44, MMP1, IDE | CES2 373/4885CES1 2196/4885CYP4F2 883/4885 |
“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.