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 | 8/20 | 0.74 |
| ▸ | CA4 | P22748 | 1/20 | 0.74 |
| ▸ | CES2 | O00748 | 4/20 | 0.57 |
| ▸ | CES1 | P23141 | 4/20 | 0.57 |
| ▸ | CA1 | P00915 | 7/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
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 SCHEMBL11904021 | 0.91 | CA2 (0.74) | CA2CA4CES2CES1CA1 | |
| Benzoic Acid SCHEMBL348475 | 0.89 | CA2 (0.77) | CA2CA4CES2CES1CA1 | |
| Benzoic Acid SCHEMBL27345977 | 0.86 | CA2 (0.90) | CA2CA4CES2CES1CA1 | |
| Benzoic Acid SCHEMBL29053363 | 0.86 | CA2 (1.00) | CA2CA4CES2CES1CA1 | |
| Benzoic Acid SCHEMBL431405 | 0.86 | CA2 (1.00) | CA2CA4CES2CES1CA1 | |
| Benzoic Acid SCHEMBL29175054 | 0.86 | CA2 (1.00) | CA2CA4CES2CES1CA1 | |
| Benzoic Acid SCHEMBL6123440 | 0.86 | CA2 (1.00) | CA2CA4CES2CES1CA1 | |
| Benzoic Acid SCHEMBL28946409 | 0.86 | CA2 (1.00) | CA2CA4CES2CES1CA1 | |
| Benzoic Acid SCHEMBL16115635 | 0.86 | CA2 (1.00) | CA2CA4CES2CES1CA1 | |
| Benzoic Acid SCHEMBL27711371 | 0.86 | CA2 (1.00) | CA2CA4CES2CES1CA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109156520-A | A kind of green composite preservative of Green leaf vegetable anti-corrosion guarantor | 淮阴师范学院 | 2019-01-08 | — | — | CN | claimed |
| CN-109156520-A | A kind of green composite preservative of Green leaf vegetable anti-corrosion guarantor | 淮阴师范学院 | 2019-01-08 | — | — | CN | disclosed |
| CN-109156520-A | A kind of green composite preservative of Green leaf vegetable anti-corrosion guarantor | 淮阴师范学院 | 2019-01-08 | — | — | CN | disclosed |