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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.61 |
| ▸ | CA4 | P22748 | 1/20 | 0.61 |
| ▸ | ALPI | P09923 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | XIAP | P98170 | 1/20 | 0.47 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.47 |
| ▸ | KMO | O15229 | 1/20 | 0.47 |
| ▸ | SLC1A5 | Q15758 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 3/20 | 0.41 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.41 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.41 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.41 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Dl-Phenylalanine SCHEMBL28361737 | 0.83 | SLC7A5 (0.73) | CA2CA4ALPIPKMPTGS1 | |
| Benzamide SCHEMBL6443169 | 0.81 | TSHR (0.61) | ALPIPKMPTGS1XIAPSLC7A5 | |
| Leucine SCHEMBL21634011 | 0.81 | SLC7A5 (0.58) | CA2CA4ALPIPKMPTGS1 | |
| D-Glutamate SCHEMBL28374596 | 0.81 | GRM8 (0.58) | CA2CA4ALPIPKMPTGS1 | |
| Thiobenzoic Acid SCHEMBL22611847 | 0.80 | SLC7A5 (0.48) | ALPIPKMPTGS1XIAPSLC7A5 | |
| Dibenzoylmethane SCHEMBL1079375 | 0.80 | KMT2A (0.63) | ALPIPKMPTGS1XIAPSLC7A5 | |
| Benzoic Acid SCHEMBL20515563 | 0.79 | CA2 (0.68) | CA2CA4TSHRCA1 | |
| Triphenylene SCHEMBL12506418 | 0.79 | SLC7A5 (0.55) | ALPIPKMPTGS1XIAPSLC7A5 | |
| Naphthalene SCHEMBL29046325 | 0.79 | ALPI (0.55) | ALPIPKMPTGS1XIAPSLC7A5 | |
| Benzoic Acid SCHEMBL17746607 | 0.79 | CA2 (0.67) | CA2CA4TSHRCA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019182123-A1 | LIQUID PREPARATION CONTAINING TRANSGLUTAMINASE | 味の素株式会社 | 2019-09-26 | — | — | WO | disclosed |