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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | GAA | P10253 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | PTGES | O14684 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | NT5E | P21589 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5310052 | 0.85 | ALDH1A1 (0.48) | ALDH1A1CA12CA9MAPTGAA | |
| Sodium Dehydroacetate SCHEMBL41960 | 0.85 | ALDH1A1 (0.48) | ALDH1A1CA12CA9MAPTGAA | |
| Water SCHEMBL3027355 | 0.83 | ALDH1A1 (0.47) | ALDH1A1CA12CA9MAPTGAA | |
| Benzyl Alcohol SCHEMBL7606090 | 0.82 | ALDH1A1 (0.58) | ALDH1A1CA12CA9MAPTGAA | |
| Chloroxylenol SCHEMBL11390027 | 0.72 | CYP3A4 (0.44) | ALDH1A1MAPTGAASMN1; SMN2KDM4E | |
| Benzoic Acid SCHEMBL8181433 | 0.71 | CA2 (0.85) | ALDH1A1CA2CA4USP2 | |
| Benzoic Acid SCHEMBL361239 | 0.71 | CA2 (0.85) | ALDH1A1CA2CA4USP2 | |
| SCHEMBL10463880 | 0.70 | SMN1; SMN2 (0.65) | ALDH1A1MAPTGAASMN1; SMN2KDM4E | |
| Benzoic Acid SCHEMBL7758908 | 0.69 | CA2 (0.81) | ALDH1A1CA2CA4USP2 | |
| Benzoic Acid SCHEMBL28127259 | 0.69 | CA2 (0.81) | ALDH1A1CA2CA4USP2 |
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-8765819-B2 | Composition comprising benzoic acid in combination with organic acid preservatives as active ingredients and the use thereof | SHENZHEN EULIKAN BIOTECHNOLOGY CO., LTD. (CN) | 2014-07-01 | — | — | US | disclosed |
| US-20120245132-A1 | Composition Comprising Benzoic Acid in Combination with Organic Acid Preservatives as Active Ingredients and the Use Thereof | SHENZHEN EULIKAN BIOTECHNOLOGY CO., LTD. (CN) | 2012-09-27 | — | — | US | disclosed |
| US-20120040025-A9 | Compositions and Methods for Treating Disorders Associated with Salt or Fluid Retention | IRONWOOD PHARMACEUTICALS, INC. | 2012-02-16 | — | — | US | disclosed |
| US-20100215779-A1 | Compositions and Methods for Treating Disorders Associated with Salt or Fluid Retention | IRONWOOD PHARMACEUTICALS, INC. | 2010-08-26 | — | — | 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 (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-20120040025-A9 | Compositions and Methods for Treating Disorders Associated with Salt or Fluid Retention | SLC10A2, SLC10A1, SLC26A3 | ALDH1A1 2366/4885CA2 285/4885CA4 416/4885 |
| US-20100215779-A1 | Compositions and Methods for Treating Disorders Associated with Salt or Fluid Retention | SLC10A2, SLC10A1, SLC26A3 | ALDH1A1 2366/4885CA2 285/4885CA4 416/4885 |
“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.