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 | 4/20 | 0.74 |
| ▸ | UNG | P13051 | 1/20 | 0.69 |
| ▸ | TSHR | P16473 | 2/20 | 0.67 |
| ▸ | DAO | P14920 | 1/20 | 0.67 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.67 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.67 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.58 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.58 |
| ▸ | CES2 | O00748 | 2/20 | 0.56 |
| ▸ | CES1 | P23141 | 2/20 | 0.56 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.48 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | BCHE | P06276 | 1/20 | 0.48 |
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 SCHEMBL20262091 | 0.92 | ALDH1A1 (0.63) | ALDH1A1UNGTSHRDAONAPRT | |
| Benzoic Acid SCHEMBL17004003 | 0.88 | ALDH1A1 (0.59) | ALDH1A1UNGTSHRDAONAPRT | |
| Benzil SCHEMBL7790900 | 0.86 | CES2 (0.67) | ALDH1A1UNGTSHRDAONAPRT | |
| Benzophenone SCHEMBL1074284 | 0.86 | ALDH1A1 (0.67) | ALDH1A1UNGTSHRDAONAPRT | |
| Benzoic Acid SCHEMBL27844689 | 0.86 | ALDH1A1 (0.67) | ALDH1A1UNGTSHRDAONAPRT | |
| Aminobenzoic Acid SCHEMBL28252238 | 0.86 | ALDH1A1 (0.67) | ALDH1A1UNGTSHRDAONAPRT | |
| 4-Methylbenzoic Acid SCHEMBL29038296 | 0.86 | ALDH1A1 (0.67) | ALDH1A1UNGTSHRDAONAPRT | |
| Benzoic Acid SCHEMBL18406236 | 0.86 | ALDH1A1 (0.67) | ALDH1A1UNGTSHRDAONAPRT | |
| Terephthalic Acid SCHEMBL11068404 | 0.85 | ALDH1A1 (1.00) | ALDH1A1UNGTSHRDAONAPRT | |
| SCHEMBL63361 | 0.85 | ALDH1A1 (1.00) | ALDH1A1UNGTSHRDAONAPRT |
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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113416172-B | Antiviral compound and preparation method thereof | 广东中科药物研究有限公司 | 2022-06-21 | — | — | CN | claimed |
| CN-113773275-A | Antiviral compound and preparation method thereof | 广东中科药物研究有限公司 | 2021-12-10 | — | — | CN | claimed |
| CN-113416172-A | Antiviral compound and preparation method thereof | 广东中科药物研究有限公司 | 2021-09-21 | — | — | CN | claimed |
| CN-112707874-A | Antiviral compound and preparation method thereof | 广东中科药物研究有限公司 | 2021-04-27 | — | — | CN | claimed |
| CN-106117548-A | A kind of amino acidic group cluster peptide and preparation method thereof | 中国科学院长春应用化学研究所 | 2016-11-16 | — | — | CN | claimed |
| CN-117816147-B | Al (aluminum) alloy2O3ZnSn hydrotalcite, preparation method and application thereof | 中山大学 | 2024-07-12 | — | — | CN | disclosed |
| CN-117816147-A | Al (aluminum) alloy 2 O 3 ZnSn hydrotalcite, preparation method and application thereof | 中山大学 | 2024-04-05 | — | — | CN | disclosed |
| CN-117247316-A | Method for preparing benzaldehyde and anisole by catalytic oxidation of cinnamaldehyde and anethole through vapor distillation vapor phase ozone | 广西大学 | 2023-12-19 | — | — | CN | disclosed |
| CN-114289073-B | Method for producing hydrogen by reforming methanol and water by using Schiff base metal complex in homogeneous phase catalysis | 长春工业大学 | 2023-07-18 | — | — | CN | disclosed |
| CN-113416172-B | Antiviral compound and preparation method thereof | 广东中科药物研究有限公司 | 2022-06-21 | — | — | CN | disclosed |
| CN-114262313-A | Method for purifying butylphthalide | 乐普药业股份有限公司 | 2022-04-01 | — | — | CN | disclosed |
| CN-114008017-A | Covalent organic frameworks and methods of making and using same | 新加坡国立大学 | 2022-02-01 | — | — | CN | disclosed |
| CN-101909729-A | At liquid CO 2And CO 2Ozonolysis reactions in the expanded solvents | UNIV KANSAS | 2010-12-08 | — | — | CN | disclosed |
| CN-1824383-A | Manganese oxide catalyst used for toluene liquid phase catalytic oxidation, its preparation method and application | DLIAN INST OF CHEMICAL PHYSICS (CN) | 2006-08-30 | — | — | CN | disclosed |
| US-6953789-B2 | Thiol compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2005-10-11 | — | — | US | disclosed |
| US-20040157894-A1 | Thiol compounds, their production and use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2004-08-12 | — | — | US | disclosed |
| US-6699881-B2 | MATRIX METALLOPROTEASE INHIBITORS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2004-03-02 | — | — | US | disclosed |
| US-20030078253-A1 | Thiol compounds, their production and use | TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) | 2003-04-24 | — | — | US | disclosed |
| US-6420415-B1 | Thiol compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2002-07-16 | — | — | US | disclosed |
| EP-1132379-A1 | NOVEL THIOL DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND UTILIZATION THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2001-09-12 | — | — | EP | 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-20030078253-A1 | Thiol compounds, their production and use | TST, QSOX1, SULT1E1 | ALDH1A1 905/4885UNG 3385/4885TSHR 1971/4885 |
| US-20040157894-A1 | Thiol compounds, their production and use | TST, SULT1E1, QSOX1 | ALDH1A1 877/4885UNG 3331/4885TSHR 1888/4885 |
“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.