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 | |
|---|---|---|---|---|
| ▸ | KAT8 | Q9H7Z6 | 2/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | RARB | P10826 | 6/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | RARA | P10276 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | F2R | P25116 | 1/20 | 0.40 |
| ▸ | STAT3 | P40763 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | PLK1 | P53350 | 4/20 | 0.39 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL223043 | 0.92 | KAT8 (0.45) | KAT8PPARARARBRARAPLK1 | |
| SCHEMBL29366841 | 0.92 | KAT8 (0.45) | KAT8PPARARARBRARAPLK1 | |
| SCHEMBL19951468 | 0.92 | KAT8 (0.45) | KAT8PPARARARBRARAPLK1 | |
| SCHEMBL6866539 | 0.92 | KAT8 (0.45) | KAT8PPARARARBRARAPLK1 | |
| SCHEMBL226460 | 0.92 | KAT8 (0.45) | KAT8PPARARARBRARAPLK1 | |
| SCHEMBL227902 | 0.92 | KAT8 (0.45) | KAT8PPARARARBRARAPLK1 | |
| SCHEMBL10796848 | 0.92 | KAT8 (0.45) | KAT8PPARARARBRARAPLK1 | |
| SCHEMBL205695 | 0.92 | KAT8 (0.45) | KAT8PPARARARBRARAPLK1 | |
| SCHEMBL223272 | 0.92 | KAT8 (0.45) | KAT8PPARARARBRARAPLK1 | |
| SCHEMBL11364054 | 0.92 | KAT8 (0.45) | KAT8PPARARARBRARAPLK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023149690-A1 | FLAME RETARDANT COMPOSITION COMPRISING METAL PHOSPHINATE-BASED FLAME RETARDANT, AND FLAME RETARDANT SYNTHETIC RESIN COMPOSITION TO WHICH SAME IS APPLIED | 이정훈 | 2023-08-10 | — | — | WO | disclosed |