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 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | DAO | P14920 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | CA12 | O43570 | 4/20 | 0.52 |
| ▸ | CA9 | Q16790 | 4/20 | 0.52 |
| ▸ | CA1 | P00915 | 3/20 | 0.52 |
| ▸ | CA2 | P00918 | 3/20 | 0.52 |
| ▸ | CA6 | P23280 | 2/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 2/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | HMGB1 | P09429 | 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 | |
|---|---|---|---|---|
| Pyrene SCHEMBL21056192 | 0.85 | MEN1 (0.72) | NAPRTTSHRDAOMEN1KMT2A | |
| Pyrene SCHEMBL21625028 | 0.85 | MEN1 (0.72) | NAPRTTSHRDAOMEN1KMT2A | |
| Bicarbonate SCHEMBL11662741 | 0.84 | KMT2A (0.52) | NAPRTTSHRMEN1KMT2ACA12 | |
| Benzoic Acid SCHEMBL7669891 | 0.82 | TSHR (0.78) | NAPRTTSHRDAOCA12CA9 | |
| Benzoic Acid SCHEMBL2019528 | 0.82 | TSHR (0.78) | NAPRTTSHRDAOCA12CA9 | |
| 1-Naphthol SCHEMBL4941930 | 0.82 | CYP1A2 (0.68) | NAPRTTSHRDAOMEN1KMT2A | |
| SCHEMBL25369122 | 0.81 | SRD5A2 (0.59) | MEN1KMT2ACA1CA2SRD5A2 | |
| Benzoic Acid SCHEMBL3827683 | 0.80 | TSHR (0.67) | NAPRTTSHRDAOCA12CA9 | |
| SCHEMBL3389929 | 0.80 | KMT2A (0.66) | TSHRMEN1KMT2ACA12CA9 | |
| Naphthalene SCHEMBL498190 | 0.79 | TSHR (0.82) | NAPRTTSHRDAOMEN1KMT2A |
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-117327214-A | Chlorination modified catalyst and preparation method and application thereof | 国家能源投资集团有限责任公司 | 2024-01-02 | — | — | CN | disclosed |
| CN-117327213-A | Propylene polymerization method for narrowing particle size distribution of powder | 国家能源投资集团有限责任公司 | 2024-01-02 | — | — | CN | disclosed |