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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | DAO | P14920 | 1/20 | 0.45 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.45 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.44 |
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
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 SCHEMBL1784503 | 0.81 | TSHR (0.50) | TSHRDAONAPRTSRD5A2CES2 | |
| Benzoic Acid SCHEMBL27652144 | 0.80 | TSHR (0.64) | TSHRDAONAPRTSRD5A2CES2 | |
| Benzoic Acid SCHEMBL1070689 | 0.80 | TSHR (0.52) | TSHRDAONAPRTSRD5A2CES2 | |
| Formic Acid SCHEMBL3387310 | 0.78 | TSHR (0.43) | TSHR | |
| Benzoic Acid SCHEMBL1071213 | 0.77 | TSHR (0.48) | TSHRDAONAPRTSRD5A2CES2 | |
| Benzoic Acid SCHEMBL770049 | 0.77 | TSHR (0.64) | TSHRDAONAPRTSRD5A2CES2 | |
| Benzoic Acid SCHEMBL5918273 | 0.77 | TSHR (0.64) | TSHRDAONAPRTSRD5A2CES2 | |
| Benzoic Acid SCHEMBL2963265 | 0.77 | TSHR (0.64) | TSHRDAONAPRTSRD5A2CES2 | |
| Benzoic Acid SCHEMBL28921708 | 0.76 | TSHR (0.78) | TSHRDAONAPRTSRD5A2CES2 | |
| Benzoic Acid SCHEMBL27672254 | 0.76 | TSHR (0.78) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1729365-B1 | NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING THE SAME | UBE INDUSTRIES (JP) | 2010-12-22 | — | — | EP | disclosed |