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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.71 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.70 |
| ▸ | TSHR | P16473 | 6/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.65 |
| ▸ | ESR1 | P03372 | 1/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.65 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.65 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.65 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.63 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.63 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | RECQL | P46063 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL28978386 | 0.95 | LMNA (0.79) | LMNATDP1TSHRMAPK1CYP1A2 | |
| SCHEMBL97514 | 0.95 | LMNA (0.79) | LMNATDP1TSHRMAPK1CYP1A2 | |
| SCHEMBL1869078 | 0.95 | LMNA (0.79) | LMNATDP1TSHRMAPK1CYP1A2 | |
| Benzoic Acid Octyl Ester SCHEMBL22129334 | 0.93 | TDP1 (0.71) | LMNATDP1TSHRMAPK1CYP1A2 | |
| SCHEMBL23175014 | 0.93 | LMNA (0.76) | LMNATDP1TSHRMAPK1CYP1A2 | |
| Terephthalic Acid SCHEMBL21044732 | 0.93 | TSHR (0.74) | LMNATDP1TSHRMAPK1CYP1A2 | |
| SCHEMBL10547530 | 0.93 | LMNA (0.76) | LMNATDP1TSHRMAPK1CYP1A2 | |
| SCHEMBL7731869 | 0.93 | LMNA (0.76) | LMNATDP1TSHRMAPK1CYP1A2 | |
| SCHEMBL37477 | 0.93 | TSHR (0.74) | LMNATDP1TSHRMAPK1CYP1A2 | |
| Potassium SCHEMBL34464611 | 0.93 | LMNA (0.76) | LMNATDP1TSHRMAPK1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019172617-A1 | HERBICIDE COMPOSITION CONTAINING PYRIMIDINEDIONE-BASED COMPOUND | 주식회사 팜한농 | 2019-09-12 | — | — | WO | disclosed |
| CN-103210949-B | Adult anoplophora glabripennis attractant | UNIV ZHEJIANG A & F | 2014-07-02 | — | — | CN | disclosed |
| CN-103210949-A | Adult anoplophora glabripennis attractant | UNIV ZHEJIANG A & F | 2013-07-24 | — | — | CN | disclosed |