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 | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.71 |
| ▸ | CA4 | P22748 | 1/20 | 0.71 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 6/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | XBP1 | P17861 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 3/20 | 0.41 |
| ▸ | CES1 | P23141 | 3/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.41 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.41 |
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 SCHEMBL7210053 | 0.88 | CA2 (0.64) | CA2CA4CA1LMNAMAPT | |
| Benzoic Acid SCHEMBL7520445 | 0.88 | CA2 (0.64) | CA2CA4CA1LMNAMAPT | |
| Benzoic Acid SCHEMBL29019191 | 0.87 | CA2 (0.70) | CA2CA4CA1LMNAMAPT | |
| Benzoic Acid SCHEMBL1033231 | 0.87 | CA2 (0.76) | CA2CA4CA1LMNAMAPT | |
| Benzoic Acid SCHEMBL27345977 | 0.84 | CA2 (0.90) | CA2CA4CA1USP2CES2 | |
| Benzoic Acid SCHEMBL29053363 | 0.84 | CA2 (1.00) | CA2CA4CA1MAPTCES2 | |
| Benzoic Acid SCHEMBL28946409 | 0.84 | CA2 (1.00) | CA2CA4CA1MAPTCES2 | |
| Benzoic Acid SCHEMBL29175054 | 0.84 | CA2 (1.00) | CA2CA4CA1MAPTCES2 | |
| Benzoic Acid SCHEMBL6123440 | 0.84 | CA2 (1.00) | CA2CA4CA1MAPTCES2 | |
| Benzoic Acid SCHEMBL16115635 | 0.84 | CA2 (1.00) | CA2CA4CA1MAPTCES2 |
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-110325051-A | Granulated meal replenishers and production and preparation method thereof | 奥姆尼根研究有限责任公司 | 2019-10-11 | — | — | CN | disclosed |
| CN-109567139-A | A kind of nisin less salt chilli garlic sauce and preparation method thereof | 天津市利民调料有限公司 | 2019-04-05 | — | — | CN | disclosed |