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 | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 8/20 | 0.62 |
| ▸ | PTGS1 | P23219 | 8/20 | 0.62 |
| ▸ | CXCR1 | P25024 | 4/20 | 0.62 |
| ▸ | CXCR2 | P25025 | 4/20 | 0.62 |
| ▸ | LMNA | P02545 | 4/20 | 0.62 |
| ▸ | MAPT | P10636 | 2/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.62 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.62 |
| ▸ | SLC22A6 | Q4U2R8 | 2/20 | 0.62 |
| ▸ | CXCL8 | P10145 | 2/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | HPGD | P15428 | 2/20 | 0.62 |
| ▸ | RECQL | P46063 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.62 |
| ▸ | THPO | P40225 | 1/20 | 0.62 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL5786013 | 1.00 | PTGS2 (0.62) | PTGS2PTGS1CXCR1CXCR2LMNA | |
| Benzene SCHEMBL28145708 | 0.89 | PTGS2 (0.75) | PTGS2PTGS1CXCR1CXCR2LMNA | |
| SCHEMBL68873 | 0.89 | PTGS2 (0.75) | PTGS2PTGS1CXCR1CXCR2LMNA | |
| SCHEMBL10411845 | 0.89 | PTGS2 (0.75) | PTGS2PTGS1CXCR1CXCR2LMNA | |
| Iodide SCHEMBL3868944 | 0.89 | PTGS2 (0.75) | PTGS2PTGS1CXCR1CXCR2LMNA | |
| SCHEMBL23581099 | 0.89 | PTGS2 (0.75) | PTGS2PTGS1CXCR1CXCR2LMNA | |
| SCHEMBL3418 | 0.89 | PTGS2 (0.75) | PTGS2PTGS1CXCR1CXCR2LMNA | |
| SCHEMBL66842 | 0.89 | PTGS2 (0.75) | PTGS2PTGS1CXCR1CXCR2LMNA | |
| Benzophenone SCHEMBL28643466 | 0.88 | PTGS2 (0.79) | PTGS2PTGS1CXCR1CXCR2LMNA | |
| SCHEMBL4488292 | 0.87 | PTGS2 (0.61) | PTGS2PTGS1CXCR1CXCR2LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0630261-A4 | NEW CYCLODEXTRINS AND NEW FORMULATED DRUGS. | AUSTRALIAN COMMERCIAL RESEARCH (AU) | 1996-11-06 | — | — | EP | disclosed |
| EP-0630261-A1 | NEW CYCLODEXTRINS AND NEW FORMULATED DRUGS | AUSTRALIAN COMMERCIAL RESEARCH & DEVELOPMENT LIMITED (AU) | 1994-12-28 | — | — | EP | disclosed |