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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.70 |
| ▸ | CA2 | P00918 | 1/20 | 0.70 |
| ▸ | LMNA | P02545 | 4/20 | 0.66 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.66 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.63 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.63 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.62 |
| ▸ | TSHR | P16473 | 3/20 | 0.62 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.45 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.45 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 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 SCHEMBL15789975 | 1.00 | ALDH1A1 (0.70) | ALDH1A1CYP3A4CA2LMNAHSD17B10 | |
| SCHEMBL79515 | 0.96 | ALDH1A1 (0.76) | ALDH1A1CYP3A4CA2LMNAHSD17B10 | |
| SCHEMBL30825765 | 0.96 | ALDH1A1 (0.76) | ALDH1A1CYP3A4CA2LMNAHSD17B10 | |
| SCHEMBL108086 | 0.94 | ALDH1A1 (0.73) | ALDH1A1CYP3A4CA2LMNAHSD17B10 | |
| SCHEMBL27543081 | 0.93 | ALDH1A1 (0.72) | ALDH1A1CYP3A4CA2LMNAHSD17B10 | |
| Isophthalic Acid SCHEMBL28378658 | 0.92 | ALDH1A1 (0.64) | ALDH1A1CYP3A4CA2LMNAHSD17B10 | |
| SCHEMBL30437742 | 0.92 | PRSS1 (0.74) | ALDH1A1CYP3A4CA2LMNAHSD17B10 | |
| Isophthalic Acid SCHEMBL28378656 | 0.91 | ALDH1A1 (0.65) | ALDH1A1CYP3A4CA2LMNAHSD17B10 | |
| SCHEMBL15286366 | 0.90 | ALDH1A1 (0.68) | ALDH1A1CYP3A4CA2LMNAHSD17B10 | |
| SCHEMBL3320267 | 0.90 | PRSS1 (0.77) | ALDH1A1CYP3A4CA2LMNAHSD17B10 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116209424-A | Sun protection or daily care compositions comprising micronized methylenebis-benzotriazole tetramethylbutylphenol | 巴斯夫欧洲公司 | 2023-06-02 | — | — | CN | claimed |
| CN-113573690-A | Effective sunscreen composition with diethylamino hydroxybenzoyl hexyl benzoate and butyl methoxy dibenzoyl methane and without octocrylene | 巴斯夫欧洲公司 | 2021-10-29 | — | — | CN | claimed |
| CN-118019517-A | Sun protection or daily care composition comprising bis-ethylhexyloxyphenol methoxyphenyl triazine and an inorganic UV filter | 巴斯夫欧洲公司 | 2024-05-10 | — | — | CN | disclosed |
| CN-117956967-A | Cosmetic preparation containing high specific gravity soda-lime glass beads | 拜尔斯道夫股份有限公司 | 2024-04-30 | — | — | CN | disclosed |
| CN-115052580-A | Polyacrylate-free cosmetic preparations | 拜尔斯道夫股份有限公司 | 2022-09-13 | — | — | CN | disclosed |
| CN-113573690-A | Effective sunscreen composition with diethylamino hydroxybenzoyl hexyl benzoate and butyl methoxy dibenzoyl methane and without octocrylene | 巴斯夫欧洲公司 | 2021-10-29 | — | — | CN | disclosed |
| CN-112770716-A | Sunscreen compositions comprising cresol troxazole trisiloxane to reduce fabric staining | 巴斯夫欧洲公司 | 2021-05-07 | — | — | CN | disclosed |