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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | DRD2 | P14416 | 2/20 | 0.45 |
| ▸ | HTR1A | P08908 | 2/20 | 0.45 |
| ▸ | HTR2A | P28223 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | METAP1 | P53582 | 1/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.43 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL27463569 | 0.83 | POLB (0.64) | HRH3ALDH1A1MAPTPOLBHTR1A | |
| SCHEMBL7404283 | 0.81 | POLB (0.55) | HRH3ALDH1A1MAPTPOLB | |
| SCHEMBL6180151 | 0.78 | ITGB3 (0.61) | HRH3ALDH1A1MAPTITGB3ITGA2B | |
| SCHEMBL7947516 | 0.78 | KDM4E (0.59) | HRH3ALDH1A1MAPTPOLBCYP2C9 | |
| Hydrochloric Acid SCHEMBL8838028 | 0.77 | ITGB3 (0.60) | HRH3ALDH1A1MAPTITGB3ITGA2B | |
| Hydrochloric Acid SCHEMBL7402499 | 0.77 | ITGB3 (0.60) | HRH3ALDH1A1MAPTITGB3ITGA2B | |
| SCHEMBL5632521 | 0.77 | POLB (0.54) | HRH3ALDH1A1MAPTPOLBHTR2A | |
| SCHEMBL10402097 | 0.75 | CHKA (0.50) | HRH3ALDH1A1MAPTDRD2ITGB3 | |
| Water SCHEMBL27462629 | 0.74 | POLB (0.54) | HRH3ALDH1A1POLBHTR1A | |
| SCHEMBL7961639 | 0.74 | SMN1; SMN2 (0.70) | HRH3ALDH1A1MAPTPOLBCYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1120334-A | Heterocyclic derivatives as platelet aggregation inhibitors | ZENECA LTD (GB) | 1996-04-10 | — | — | CN | disclosed |