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 | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.64 |
| ▸ | TSHR | P16473 | 2/20 | 0.64 |
| ▸ | DAO | P14920 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.59 |
| ▸ | APP | P05067 | 1/20 | 0.59 |
| ▸ | GAA | P10253 | 1/20 | 0.59 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.59 |
| ▸ | CES2 | O00748 | 2/20 | 0.54 |
| ▸ | CES1 | P23141 | 2/20 | 0.54 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.54 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.50 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | KMO | O15229 | 1/20 | 0.47 |
| ▸ | PLOD2 | O00469 | 2/20 | 0.46 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.46 |
| ▸ | PLOD3 | O60568 | 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 SCHEMBL3313836 | 0.98 | NAPRT (0.67) | NAPRTTSHRDAOALDH1A1HCAR2 | |
| Benzoic Acid SCHEMBL27833807 | 0.95 | NAPRT (0.64) | NAPRTTSHRDAOALDH1A1HCAR2 | |
| Benzoic Acid SCHEMBL27846116 | 0.95 | NAPRT (0.64) | NAPRTTSHRDAOALDH1A1HCAR2 | |
| Benzoic Acid SCHEMBL27780742 | 0.88 | NAPRT (0.54) | NAPRTTSHRDAOALDH1A1HCAR2 | |
| Benzoic Acid SCHEMBL30336127 | 0.86 | NAPRT (0.52) | NAPRTTSHRDAOALDH1A1HCAR2 | |
| Benzoic Acid SCHEMBL28523082 | 0.86 | NAPRT (0.70) | NAPRTTSHRDAOALDH1A1HCAR2 | |
| Benzoic Acid SCHEMBL28274408 | 0.86 | NAPRT (0.70) | NAPRTTSHRDAOALDH1A1HCAR2 | |
| Benzoic Acid SCHEMBL3811105 | 0.86 | NAPRT (0.70) | NAPRTTSHRDAOALDH1A1HCAR2 | |
| Benzophenone SCHEMBL4016306 | 0.84 | KMT2A (0.71) | ALDH1A1HCAR2APPGAAHCAR3 | |
| Benzoic Acid SCHEMBL3847226 | 0.84 | NAPRT (0.67) | NAPRTTSHRDAOALDH1A1HCAR2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113651760-A | Pyrimidine selenium benzoic acid derivative, preparation method thereof and application of pyrimidine selenium benzoic acid derivative as herbicide | 常州大学 | 2021-11-16 | — | — | CN | claimed |
| CN-113651760-B | Pyrimidine selenobenzoic acid derivative, preparation method thereof and application of pyrimidine selenobenzoic acid derivative as herbicide | 常州大学 | 2023-07-25 | — | — | CN | disclosed |
| CN-113651760-A | Pyrimidine selenium benzoic acid derivative, preparation method thereof and application of pyrimidine selenium benzoic acid derivative as herbicide | 常州大学 | 2021-11-16 | — | — | CN | disclosed |
| CN-113651760-A | Pyrimidine selenium benzoic acid derivative, preparation method thereof and application of pyrimidine selenium benzoic acid derivative as herbicide | 常州大学 | 2021-11-16 | — | — | CN | disclosed |
| CN-113651760-A | Pyrimidine selenium benzoic acid derivative, preparation method thereof and application of pyrimidine selenium benzoic acid derivative as herbicide | 常州大学 | 2021-11-16 | — | — | CN | disclosed |