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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 10/20 | 0.81 |
| ▸ | CA4 | P22748 | 1/20 | 0.81 |
| ▸ | TSHR | P16473 | 2/20 | 0.67 |
| ▸ | DAO | P14920 | 1/20 | 0.67 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.67 |
| ▸ | CES2 | O00748 | 2/20 | 0.56 |
| ▸ | CES1 | P23141 | 2/20 | 0.56 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 9/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
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 SCHEMBL455262 | 0.98 | CA2 (0.85) | CA2CA4TSHRDAONAPRT | |
| Benzoic Acid SCHEMBL11791472 | 0.98 | CA2 (0.85) | CA2CA4TSHRDAONAPRT | |
| Benzoic Acid SCHEMBL2591456 | 0.98 | CA2 (0.85) | CA2CA4TSHRDAONAPRT | |
| Benzoic Acid SCHEMBL27469815 | 0.95 | CA2 (0.81) | CA2CA4TSHRDAONAPRT | |
| Benzoic Acid SCHEMBL27294358 | 0.95 | CA2 (0.81) | CA2CA4TSHRDAONAPRT | |
| Benzoic Acid SCHEMBL28255902 | 0.95 | CA2 (0.81) | CA2CA4TSHRDAONAPRT | |
| Benzoic Acid SCHEMBL4427356 | 0.93 | CA2 (0.76) | CA2CA4TSHRDAONAPRT | |
| Benzoic Acid SCHEMBL17507463 | 0.93 | CA2 (0.76) | CA2CA4TSHRDAONAPRT | |
| Benzoic Acid SCHEMBL5865919 | 0.93 | CA2 (0.94) | CA2CA4TSHRDAONAPRT | |
| Benzoic Acid SCHEMBL2772100 | 0.93 | CA2 (0.94) | CA2CA4TSHRDAONAPRT |
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 |
|---|---|---|---|---|---|---|---|
| CN-1166644-C | Process for chemically synthesizing 2,6-bis [(4,6-dimethoxypyrimidine-2-yl) oxy] sodium bezoate | 浙江工业大学 | 2004-09-15 | — | — | CN | disclosed |
| CN-1396157-A | Process for chemically synthesizing 2,6-bis [(4,6-dimethoxypyrimidine-2-yl) oxy] sodium bezoate | ZHEJIANG INDUSTRY UNIV (CN) | 2003-02-12 | — | — | CN | disclosed |