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 | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.39 |
| ▸ | CES1 | P23141 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | NAAA | Q02083 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5498867 | 0.84 | CES2 (0.46) | CES2CES1LMNANAAATSHR | |
| SCHEMBL2120697 | 0.84 | LMNA (0.49) | CES2CES1LMNANAAATSHR | |
| Benzoic Acid SCHEMBL3991688 | 0.83 | CES2 (0.54) | CES2CES1LMNANAAACA2 | |
| SCHEMBL27954088 | 0.78 | LMNA (0.51) | CES2CES1LMNANAAATSHR | |
| Benzoic Acid SCHEMBL50603 | 0.77 | CA2 (0.55) | CES2CES1LMNANAAACA2 | |
| SCHEMBL3093634 | 0.73 | ALDH1A1 (0.48) | CES2CES1LMNATSHRALDH1A1 | |
| Benzoic Acid SCHEMBL11830366 | 0.71 | CA2 (0.59) | CES2CES1LMNANAAACA2 | |
| Benzoyl Peroxide SCHEMBL27777773 | 0.71 | CES2 (0.51) | CES2CES1LMNANAAA | |
| SCHEMBL409199 | 0.70 | LMNA (0.51) | CES2CES1LMNANAAATSHR | |
| Phthalic Acid SCHEMBL8367523 | 0.70 | TSHR (0.47) | CES2CES1LMNANAAATSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1000985-B1 | CATIONIC ELECTRODEPOSITION COATING COMPOSITION | KANSAI PAINT CO LTD (JP) | 2007-02-14 | — | — | EP | disclosed |