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 | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | MRGPRX4 | Q96LA9 | 6/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MYC | P01106 | 1/20 | 0.34 |
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 SCHEMBL7413764 | 0.86 | ESR1 (0.37) | ESR1ESR2LTA4HMRGPRX4CYP2D6 | |
| Benzoic Acid SCHEMBL7409792 | 0.81 | PPARG (0.43) | ESR1ESR2LTA4HGRIN2BCYP2D6 | |
| Benzoic Acid SCHEMBL7480908 | 0.81 | HCAR2 (0.42) | ESR1ESR2LTA4HCYP2D6CYP2C9 | |
| Benzoic Acid SCHEMBL7664241 | 0.77 | ALOX15 (0.44) | ESR1ESR2KDM4EALDH1A1 | |
| Benzoic Acid SCHEMBL7672846 | 0.76 | NAPRT (0.44) | ESR1ESR2LTA4HKDM4EHRH4 | |
| Benzoic Acid SCHEMBL7411732 | 0.76 | CHRNB2 (0.49) | CYP2D6CYP2C9KDM4E | |
| SCHEMBL7413854 | 0.69 | KDM4E (0.33) | KDM4EHRH3CXCR1ALDH1A1 | |
| SCHEMBL7476578 | 0.69 | ALKBH1 (0.36) | HRH3GRM5 | |
| SCHEMBL7407615 | 0.68 | ALDH1A1 (0.34) | CYP2D6KDM4EHRH3ALDH1A1 | |
| SCHEMBL1608329 | 0.66 | HCAR2 (0.47) | CYP2C9KDM4EALDH1A1 |
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-0950057-B1 | 3-PYRIDYL ENANTIOMERS AND THEIR USE AS ANALGESICS | ABBOTT LAB (US) | 2002-11-13 | — | — | EP | disclosed |
| US-6403575-B1 | ANTI-INFLAMMATORIES | ABBOTT LABORATORIES | 2002-06-11 | — | — | US | disclosed |
| US-6133253-A | NEURONAL CELL DEATH PREVENTORS AND ANTI-INFLAMMATORIES | ABBOTT LABORATORIES (US) | 2000-10-17 | — | — | US | disclosed |