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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.48 |
| ▸ | DAO | P14920 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | KMO | O15229 | 1/20 | 0.34 |
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 SCHEMBL28890058 | 0.77 | TSHR (0.74) | TSHRNAPRTDAOCES2CES1 | |
| Benzoic Acid SCHEMBL2492854 | 0.75 | TSHR (0.64) | TSHRNAPRTDAOCES2CES1 | |
| Benzoic Acid SCHEMBL2491831 | 0.75 | TSHR (0.70) | TSHRNAPRTDAOCES2CES1 | |
| Benzoic Acid SCHEMBL11166503 | 0.74 | TSHR (0.56) | TSHRNAPRTDAOCES2CES1 | |
| SCHEMBL121599 | 0.74 | — | — | |
| Benzoic Acid SCHEMBL1249244 | 0.74 | TSHR (0.61) | TSHRNAPRTDAOCES2CES1 | |
| Benzoic Acid SCHEMBL1716154 | 0.74 | TSHR (0.61) | TSHRNAPRTDAOCES2CES1 | |
| Benzoic Acid SCHEMBL4089578 | 0.72 | TSHR (0.82) | TSHRNAPRTDAOCES2CES1 | |
| Benzoic Acid SCHEMBL9456932 | 0.72 | TSHR (0.82) | TSHRNAPRTDAOCES2CES1 | |
| Benzoic Acid SCHEMBL4094227 | 0.72 | TSHR (0.82) | TSHRNAPRTDAOCES2CES1 |
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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3738953-A1 | META-AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS PAN INTEGRIN ANTAGONISTS WITH IMPROVED PHARMACOKINETIC PROPERTIES AND METHODS FOR THEIR MANUFACTURE | Saint Louis University (US) | 2020-11-18 | — | — | EP | disclosed |
| US-20200199079-A1 | META-AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS PAN INTEGRIN ANTAGONISTS | UNIV SAINT LOUIS (US) | 2020-06-25 | — | — | US | disclosed |
| EP-3294716-B1 | META-AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS PAN INTEGRIN ANTAGONISTS | UNIV SAINT LOUIS (US) | 2020-04-15 | — | — | EP | disclosed |
| US-10577330-B2 | Meta-azacyclic amino benzoic acid derivatives as pan integrin antagonists | SAINT LOUIS UNIVERSITY (US) | 2020-03-03 | — | — | US | disclosed |
| US-20190023663-A1 | META-AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS PAN INTEGRIN ANTAGONISTS | SAINT LOUIS UNIVERSITY | 2019-01-24 | — | — | US | disclosed |
| US-10035778-B2 | Meta-azacyclic amino benzoic acid derivatives as pan integrin antagonists | SAINT LOUIS UNIVERSITY (US) | 2018-07-31 | — | — | US | disclosed |
| EP-3294716-A1 | META-AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS PAN INTEGRIN ANTAGONISTS | Saint Louis University (US) | 2018-03-21 | — | — | EP | disclosed |
| US-20180072684-A1 | META-AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS PAN INTEGRIN ANTAGONISTS | SAINT LOUIS UNIVERSITY | 2018-03-15 | — | — | US | disclosed |
| EP-2875021-B1 | BETA AMINO ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | UNIV SAINT LOUIS (US) | 2017-08-23 | — | — | EP | disclosed |
| WO-2017117538-A1 | META-AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS PAN INTEGRIN ANTAGONISTS | SAINT LOUIS UNIVERSITY (US) | 2017-07-06 | — | — | WO | disclosed |
| US-6372719-B1 | 1,4,5,6-TETRAHYDRO-5-HYDROXYPYRIMIDIN-2-AMINE DERIVATIVES ARE ADMINISTERED IN MIXTURE; ANTITUMOR AND ANTICARCINOGENIC AGENTS; SIDE EFFECT REDUCTION | G.D. SEARLE & CO. | 2002-04-16 | — | — | US | disclosed |
| EP-1161280-A1 | USE OF AN INTEGRIN ANTAGONIST AND A CHEMOTHERAPEUTIC AGENT IN THE TREATMENT OF NEOPLASIA | G.D. Searle & Co. (US) | 2001-12-12 | — | — | EP | disclosed |
| EP-1156999-A1 | METHOD FOR THE PREPARATION OF A CHIRAL-BETA-AMINO ESTER | G.D. SEARLE & CO. (US) | 2001-11-28 | — | — | EP | disclosed |
| US-6172256-B1 | USING A BLOCKING AGENT; DEBLOCKING WITH TRIMETHYLSILYL IODIDE | G.D. SEARLE & CO. | 2001-01-09 | — | — | US | disclosed |
| EP-1060164-A1 | META-AZACYCLIC AMINO BENZOIC ACID COMPOUNDS AND DERIVATIVES THEREOF BEING INTEGRIN ANTAGONISTS | G.D. SEARLE & CO. (US) | 2000-12-20 | — | — | EP | disclosed |
| WO-2000051686-A1 | USE OF INTEGRIN ANTAGONIST AND A CHEMOTHERAPEUTIC AGENT IN THE TREATMENT OF NEOPLASIA | G.D. SEARLE & CO. (US) | 2000-09-08 | — | — | WO | disclosed |
| WO-2000051968-A1 | METHOD FOR THE PREPARATION OF A CHIRAL-BETA-AMINO ESTER | G.D. SEARLE & CO. (US) | 2000-09-08 | — | — | WO | disclosed |
| US-6100423-A | Amino benzenepropanoic acid compounds and derivatives thereof | G. D. SEARLE & CO. (US) | 2000-08-08 | — | — | US | disclosed |
| US-6013651-A | ANTITUMOR AGENTS; BONE DISORDERS; ANTIARTHRITIC AGENTS; SKIN DISORDERS | G. D. SEARLE & CO. (US) | 2000-01-11 | — | — | US | disclosed |
| WO-1999044994-A1 | META-AZACYCLIC AMINO BENZOIC ACID COMPOUNDS AND DERIVATIVES THEREOF BEING INTEGRIN ANTAGONISTS | G.D. SEARLE & CO. (US) | 1999-09-10 | — | — | WO | 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 (5 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-10577330-B2 | Meta-azacyclic amino benzoic acid derivatives as pan integrin antagonists | ITGA2, ITGAL, ITGA5 | TSHR 1636/4885NAPRT 326/4885DAO 272/4885 |
| US-20190023663-A1 | META-AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS PAN INTEGRIN ANTAGONISTS | ITGA2, ITGAL, ITGA5 | TSHR 1636/4885NAPRT 326/4885DAO 272/4885 |
| US-20200199079-A1 | META-AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS PAN INTEGRIN ANTAGONISTS | ITGA2, ITGAL, ITGA5 | TSHR 1636/4885NAPRT 326/4885DAO 272/4885 |
| US-20180072684-A1 | META-AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS PAN INTEGRIN ANTAGONISTS | ITGA2, ITGAL, ITGA5 | TSHR 1636/4885NAPRT 326/4885DAO 272/4885 |
| US-10035778-B2 | Meta-azacyclic amino benzoic acid derivatives as pan integrin antagonists | ITGA2, ITGAL, ITGA5 | TSHR 1636/4885NAPRT 326/4885DAO 272/4885 |
“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.