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 | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 2/20 | 0.47 |
| ▸ | CTSG | P08311 | 2/20 | 0.47 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.47 |
| ▸ | CMA1 | P23946 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | NAAA | Q02083 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | MMP12 | P39900 | 1/20 | 0.42 |
| ▸ | RARB | P10826 | 4/20 | 0.42 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | RARA | P10276 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 SCHEMBL14839989 | 1.00 | PRSS1 (0.47) | PRSS1CTSGCTRB1CMA1ALDH1A1 | |
| 4-Methylbenzoic Acid SCHEMBL8722492 | 0.89 | ALDH1A1 (0.46) | ALDH1A1TP53TSHRRARBPLA2G4B | |
| Benzoic Acid SCHEMBL14840173 | 0.86 | PRSS1 (0.47) | PRSS1CTSGCTRB1CMA1ALDH1A1 | |
| Benzoic Acid SCHEMBL29050235 | 0.85 | PRSS1 (0.47) | PRSS1CTSGCTRB1CMA1ALDH1A1 | |
| Bicarbonate SCHEMBL6737994 | 0.83 | GRIK1 (0.47) | TP53MAPT | |
| Bicarbonate SCHEMBL26929177 | 0.83 | GRIK1 (0.47) | TP53MAPT | |
| Benzoic Acid SCHEMBL27769443 | 0.82 | ALDH1A1 (0.52) | PRSS1CTSGCTRB1CMA1ALDH1A1 | |
| Acetic Acid SCHEMBL5570508 | 0.81 | GRIK1 (0.46) | TP53MAPT | |
| Acetic Acid SCHEMBL5574227 | 0.81 | GRIK1 (0.46) | TP53MAPT | |
| Acetic Acid SCHEMBL557481 | 0.81 | GRIK1 (0.46) | TP53MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-8245493-A | — | — | None | — | — | JP | disclosed |
| JP-H08245493-A | COLD MOLTEN SALT | MITSUBISHI CHEM CORP | 1996-09-24 | — | — | JP | disclosed |