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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 1/20 | 0.56 |
| ▸ | MMP2 | P08253 | 1/20 | 0.56 |
| ▸ | MMP9 | P14780 | 1/20 | 0.56 |
| ▸ | MMP12 | P39900 | 1/20 | 0.56 |
| ▸ | CACNA1B | Q00975 | 9/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | IDO1 | P14902 | 2/20 | 0.47 |
| ▸ | PAM | P19021 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL382617 | 0.95 | MMP1 (0.60) | MMP1MMP2MMP9MMP12CACNA1B | |
| SCHEMBL382618 | 0.95 | MMP1 (0.60) | MMP1MMP2MMP9MMP12CACNA1B | |
| SCHEMBL10598152 | 0.86 | LMNA (0.57) | MMP1MMP2MMP9MMP12CACNA1B | |
| SCHEMBL10598155 | 0.86 | LMNA (0.57) | MMP1MMP2MMP9MMP12CACNA1B | |
| SCHEMBL8385274 | 0.86 | KMT2A (0.53) | MMP1MMP2MMP9MMP12CACNA1B | |
| SCHEMBL29929982 | 0.86 | KMT2A (0.53) | MMP1MMP2MMP9MMP12CACNA1B | |
| SCHEMBL28720188 | 0.84 | MMP1 (0.53) | MMP1MMP2MMP9MMP12CACNA1B | |
| SCHEMBL6290523 | 0.84 | SNCA (0.61) | MMP1MMP2MMP9MMP12CACNA1B | |
| SCHEMBL29177515 | 0.84 | MMP1 (0.53) | MMP1MMP2MMP9MMP12CACNA1B | |
| SCHEMBL8078151 | 0.82 | TDP1 (0.61) | TDP1MAPK1HIF1ASLC6A2SLC6A3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2741731-A1 | ENCAPSULATES | The Procter and Gamble Company (US) | 2014-06-18 | — | — | EP | disclosed |
| WO-2013022949-A1 | ENCAPSULATES | THE PROCTER & GAMBLE COMPANY (US) | 2013-02-14 | — | — | WO | disclosed |
| WO-2012085864-A1 | ENCAPSULATES | PROCTER & GAMBLE INTERNATIONAL OPERATIONS SA (CH) | 2012-06-28 | — | — | WO | disclosed |