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 | 2/20 | 0.56 |
| ▸ | DAO | P14920 | 1/20 | 0.56 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.56 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.48 |
| ▸ | CES2 | O00748 | 2/20 | 0.48 |
| ▸ | CES1 | P23141 | 2/20 | 0.48 |
| ▸ | KMO | O15229 | 1/20 | 0.43 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MITF | O75030 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
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 SCHEMBL1784853 | 1.00 | TSHR (0.56) | TSHRDAONAPRTSRD5A2CES2 | |
| Benzoic Acid SCHEMBL28441353 | 0.86 | TSHR (0.58) | TSHRDAONAPRTSRD5A2CES2 | |
| Benzoic Acid SCHEMBL28488472 | 0.83 | TSHR (0.61) | TSHRDAONAPRTSRD5A2CES2 | |
| Benzoic Acid SCHEMBL27642012 | 0.83 | TSHR (0.67) | TSHRDAONAPRTSRD5A2CES2 | |
| Benzoic Acid SCHEMBL1786143 | 0.83 | TSHR (0.67) | TSHRDAONAPRTSRD5A2CES2 | |
| Benzoic Acid SCHEMBL27867237 | 0.81 | TSHR (0.64) | TSHRDAONAPRTSRD5A2CES2 | |
| SCHEMBL8815571 | 0.79 | MCL1 (0.45) | SRD5A2MCL1MEN1ALDH1A1KMT2A | |
| Benzoic Acid SCHEMBL1785364 | 0.79 | TSHR (0.61) | TSHRDAONAPRTSRD5A2CES2 | |
| Benzoic Acid SCHEMBL10907428 | 0.79 | TSHR (0.61) | TSHRDAONAPRTSRD5A2CES2 | |
| Benzoic Acid SCHEMBL4089578 | 0.78 | TSHR (0.82) | TSHRDAONAPRTSRD5A2CES2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2326652-B1 | NITRO DERIVATIVES OF FURASEMIDE AND THEIR USE AS DIURETICS | MERCK SHARP & DOHME (US) | 2014-04-16 | — | — | EP | disclosed |
| US-8119806-B2 | Cicletanine derivatives | MERCK SHARP & DOHME CORP. (US) | 2012-02-21 | — | — | US | disclosed |
| EP-2326652-A1 | NITRO DERIVATIVES OF FURASEMIDE AND THEIR USE AS DIURETICS | Merck Sharp & Dohme Corp. (US) | 2011-06-01 | — | — | EP | disclosed |
| WO-2010014516-A1 | NITRO DERIVATIVES OF FURASEMIDE AND THEIR USE AS DIURETICS | MERCK & CO., INC. (US) | 2010-02-04 | — | — | WO | disclosed |
| US-20100029678-A1 | DIURETICS | MERCK SHARP & DOHME CORP. | 2010-02-04 | — | — | 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-20100029678-A1 | DIURETICS | NR3C2, REN, NR3C1 | TSHR 265/4885DAO 1917/4885NAPRT 1727/4885 |
“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.