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 | 0.93 |
| ▸ | DAO | P14920 | 1/20 | 0.93 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.93 |
| ▸ | CES2 | O00748 | 3/20 | 0.74 |
| ▸ | CES1 | P23141 | 3/20 | 0.74 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.74 |
| ▸ | TP53 | P04637 | 1/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.56 |
| ▸ | CA12 | O43570 | 2/20 | 0.55 |
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | CA3 | P07451 | 2/20 | 0.55 |
| ▸ | CA4 | P22748 | 2/20 | 0.55 |
| ▸ | CA6 | P23280 | 2/20 | 0.55 |
| ▸ | CA5A | P35218 | 2/20 | 0.55 |
| ▸ | CA7 | P43166 | 2/20 | 0.55 |
| ▸ | CA9 | Q16790 | 2/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.55 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.55 |
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 SCHEMBL28554373 | 1.00 | TSHR (0.93) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL1000699 | 0.97 | TSHR (0.88) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL27914790 | 0.97 | TSHR (0.88) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL29229337 | 0.97 | TSHR (0.88) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL31520026 | 0.97 | TSHR (0.88) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL407365 | 0.97 | TSHR (1.00) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL3966600 | 0.97 | TSHR (1.00) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL976149 | 0.97 | TSHR (1.00) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL7719037 | 0.97 | TSHR (1.00) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL160564 | 0.97 | TSHR (1.00) | TSHRDAONAPRTCES2CES1 |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024002353-A1 | PHARMACEUTICALLY ACCEPTABLE SALT AND CRYSTAL FORM OF NITROGEN-CONTAINING BRIDGE HETEROCYCLIC DERIVATIVE, AND METHOD FOR PREPARING SAME | 江苏恒瑞医药股份有限公司 | 2024-01-04 | — | — | WO | claimed |
| CN-102070468-B | Method for synthesizing beta-suprarenal kinetin ractopamine hydroc hloride | UNIV NORTH CHINA WATER & RESOU | 2013-04-17 | — | — | CN | claimed |
| CN-102070468-A | Method for synthesizing beta-suprarenal kinetin ractopamine hydroc hloride | UNIV NORTH CHINA WATER & RESOU | 2011-05-25 | — | — | CN | claimed |
| US-7763760-B2 | Catalyst composition and method for halogenating aromatic compounds | SABIC INNOVATIVE PLASTICS IP B.V. (NL) | 2010-07-27 | — | — | US | claimed |
| JP-2008503462-A | — | — | 2008-02-07 | — | — | JP | claimed |
| JP-2008503461-A | — | — | 2008-02-07 | — | — | JP | claimed |
| EP-1778398-A2 | CATALYST COMPOSITION AND METHOD FOR HALOGENATING AROMATIC COMPOUNDS | GENERAL ELECTRIC COMPANY (US) | 2007-05-02 | — | — | EP | claimed |
| EP-1758679-A2 | METHODS FOR GENERATING AND RECYCLING METAL HALIDE CATALYST COMPOSITIONS FOR AROMATIC RING HALOGENATION | GENERAL ELECTRIC COMPANY (US) | 2007-03-07 | — | — | EP | claimed |
| WO-2006009661-A2 | CATALYST COMPOSITION AND METHOD FOR HALOGENATING AROMATIC COMPOUNDS | GENERAL ELECTRIC COMPANY (US) | 2006-01-26 | — | — | WO | claimed |
| WO-2006009662-A2 | METHODS FOR GENERATING AND RECYCLING METAL HALIDE CATALYST COMPOSITIONS FOR AROMATIC RING ALOGENATION | GENERAL ELECTRIC COMPANY (US) | 2006-01-26 | — | — | WO | claimed |
| US-20050283035-A1 | Catalyst compostion and method for halogenating aromatic compounds | GENERAL ELECTRIC COMPANY | 2005-12-22 | — | — | US | claimed |
| US-20050283034-A1 | Methods for recycling catalyst compositions for aromatic ring halogenation | GENERAL ELECTRIC COMPANY | 2005-12-22 | — | — | US | claimed |
| CN-106496064-B | Ortho position azobenzene derivatives and preparation method thereof containing electron-withdrawing group of the one kind for solar heat storage | 天津大学 | 2019-02-22 | — | — | CN | disclosed |
| CN-107667088-A | NOVEL BENZOIC ACID AMIDE COMPOUND | 株式会社爱茉莉太平洋 | 2018-02-06 | — | — | CN | disclosed |
| CN-106496064-A | One class is used for the azobenzene derivatives of the ortho position of solar heat storage containing electron-withdrawing group and preparation method thereof | 天津大学 | 2017-03-15 | — | — | CN | disclosed |
| CN-102070468-B | Method for synthesizing beta-suprarenal kinetin ractopamine hydroc hloride | UNIV NORTH CHINA WATER & RESOU | 2013-04-17 | — | — | CN | disclosed |
| WO-2006009662-A2 | METHODS FOR GENERATING AND RECYCLING METAL HALIDE CATALYST COMPOSITIONS FOR AROMATIC RING ALOGENATION | GENERAL ELECTRIC COMPANY (US) | 2006-01-26 | — | — | WO | disclosed |
| US-20050283034-A1 | Methods for recycling catalyst compositions for aromatic ring halogenation | GENERAL ELECTRIC COMPANY | 2005-12-22 | — | — | US | disclosed |
| EP-1386912-A1 | CYCLIC AMIDINE DERIVATIVE | Eisai Co., Ltd. (JP) | 2004-02-04 | — | — | EP | disclosed |
| US-3933797-A | 6-[α-(ω-QUANIDINOALKANOYLAMIDO)ACYLAMIDO]PENICILLANIC ACIDS | PFIZER INC. (US) | 1976-01-20 | — | — | 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-20050283034-A1 | Methods for recycling catalyst compositions for aromatic ring halogenation | PRKACG, HCN4, CLIC4 | TSHR 195/4885DAO 262/4885NAPRT 4738/4885 |
| US-20050283035-A1 | Catalyst compostion and method for halogenating aromatic compounds | AOC2, TYR, PRKX | TSHR 1390/4885DAO 998/4885NAPRT 4724/4885 |
“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.