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 | 0.73 |
| ▸ | CA4 | P22748 | 1/20 | 0.73 |
| ▸ | CES1 | P23141 | 5/20 | 0.46 |
| ▸ | CES2 | O00748 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | DAO | P14920 | 1/20 | 0.46 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 9/20 | 0.44 |
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 SCHEMBL28298311 | 0.88 | CA2 (0.70) | CA2CA4CES1CES2TSHR | |
| Benzoic Acid SCHEMBL27790203 | 0.88 | CA2 (0.70) | CA2CA4CES1CES2TSHR | |
| Benzoic Acid SCHEMBL28294508 | 0.88 | CA2 (0.70) | CA2CA4CES1CES2TSHR | |
| Benzoic Acid SCHEMBL20262967 | 0.88 | CA2 (0.70) | CA2CA4CES1CES2TSHR | |
| Benzoic Acid SCHEMBL11789341 | 0.87 | CA2 (0.94) | CA2CA4CES1CES2TSHR | |
| Benzoic Acid SCHEMBL158696 | 0.85 | CA2 (0.80) | CA2CA4CES1CES2TSHR | |
| Benzoic Acid SCHEMBL28337190 | 0.85 | CA2 (0.80) | CA2CA4CES1CES2TSHR | |
| Benzoic Acid SCHEMBL31103498 | 0.85 | CA2 (0.80) | CA2CA4CES1CES2TSHR | |
| Benzoic Acid SCHEMBL11740323 | 0.85 | CA2 (0.80) | CA2CA4CES1CES2TSHR | |
| Benzoic Acid SCHEMBL27345977 | 0.85 | CA2 (0.90) | CA2CA4CES1CES2TSHR |
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-110483579-A | A kind of match gram phosphorous acid alcohol ester and preparation method thereof and application | HU BAOJIAN | 2019-11-22 | — | — | CN | disclosed |
| CN-109627708-A | Lightweight modification biological degradative plastic film and preparation method thereof | 淄博成达塑化有限公司 | 2019-04-16 | — | — | CN | disclosed |