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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | NAAA | Q02083 | 2/20 | 0.49 |
| ▸ | MITF | O75030 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.48 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.48 |
| ▸ | MMP8 | P22894 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | MEP1B | Q16820 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4158853 | 0.92 | KMT2A (0.57) | KMT2ATP53MEN1NAAAMMP8 | |
| SCHEMBL4158947 | 0.92 | KMT2A (0.57) | KMT2ATP53MEN1NAAAMMP8 | |
| SCHEMBL4158848 | 0.92 | KMT2A (0.57) | KMT2ATP53MEN1NAAAMMP8 | |
| Niacin SCHEMBL9502658 | 0.87 | SMN1; SMN2 (0.53) | KMT2AMEN1ALDH1A1EPHX2LMNA | |
| SCHEMBL10693686 | 0.81 | ALDH1A1 (0.56) | KMT2AMEN1ALDH1A1LMNA | |
| SCHEMBL30132781 | 0.81 | MALT1 (0.55) | KMT2ACYP2D6MEN1ALDH1A1LMNA | |
| SCHEMBL18134733 | 0.81 | KMT2A (0.66) | KMT2ATP53MEN1NAAA | |
| SCHEMBL29521788 | 0.81 | ALDH1A1 (0.56) | KMT2AMEN1ALDH1A1LMNA | |
| SCHEMBL9501925 | 0.81 | MEN1 (0.75) | KMT2ATP53MEN1NAAA | |
| SCHEMBL9502670 | 0.81 | MALT1 (0.55) | KMT2ACYP2D6MEN1ALDH1A1LMNA |
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-0376852-B1 | MICROGRANULES ESSENTIALLY CONSISTING OF TRIGLYCERIDES OF SATURATED FATTY ACIDS LOADED WITH AN ACTIVE SUBSTANCE, AND THEIR TOPICAL THERAPEUTICAL USE | CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA (FR) | 1993-06-23 | — | — | EP | claimed |