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 | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.36 |
| ▸ | CDC25B | P30305 | 3/20 | 0.35 |
| ▸ | CDC25A | P30304 | 1/20 | 0.35 |
| ▸ | CDC25C | P30307 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3968351 | 0.87 | CYP3A4 (0.36) | TSHRMAPTNOS2ALDH1A1HDAC3 | |
| SCHEMBL2443508 | 0.87 | CYP3A4 (0.36) | TSHRMAPTNOS2ALDH1A1HDAC3 | |
| Benzoic Acid SCHEMBL5981268 | 0.83 | DAO (0.45) | DAOTSHRNAPRTSRD5A2CES2 | |
| Benzoic Acid SCHEMBL1082049 | 0.78 | DAO (0.52) | DAOTSHRNAPRTSRD5A2CES2 | |
| Benzoic Acid SCHEMBL5082799 | 0.78 | DAO (0.52) | DAOTSHRNAPRTSRD5A2CES2 | |
| Benzoic Acid SCHEMBL1080914 | 0.78 | DAO (0.52) | DAOTSHRNAPRTSRD5A2CES2 | |
| Benzoic Acid SCHEMBL28003769 | 0.76 | TSHR (0.54) | DAOTSHRNAPRTSRD5A2CES2 | |
| SCHEMBL4080822 | 0.75 | ALDH1A1 (0.46) | NAPRTGAAMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL3940465 | 0.73 | CYP3A4 (0.41) | TSHRMAPTALDH1A1HDAC3SMN1; SMN2 | |
| SCHEMBL29361993 | 0.73 | CYP3A4 (0.41) | TSHRMAPTALDH1A1HDAC3SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2454290-A1 | SPHERICAL MAGNESIUM HALIDE ADDUCT, CATALYST COMPONENT AND CATALYST FOR OLEFIN POLYMERIZATION PREPARED THEREFROM | China Petroleum & Chemical Corporation (CN) | 2012-05-23 | — | — | EP | disclosed |
| WO-2011006278-A1 | SPHERICAL MAGNESIUM HALIDE ADDUCT, CATALYST COMPONENT AND CATALYST FOR OLEFIN POLYMERIZATION PREPARED THEREFROM | CHINA PETROLEUM & CHEMICAL CORPORATION (CN) | 2011-01-20 | — | — | WO | disclosed |