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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.54 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.53 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.53 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 8/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.51 |
| ▸ | MEN1 | O00255 | 4/20 | 0.51 |
| ▸ | CTSB | P07858 | 2/20 | 0.51 |
| ▸ | IDO1 | P14902 | 2/20 | 0.51 |
| ▸ | TDO2 | P48775 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | RCE1 | Q9Y256 | 3/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.49 |
| ▸ | P4HB | P07237 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
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 SCHEMBL4470216 | 1.00 | ALDH1A1 (0.54) | ALDH1A1HSP90AA1HSP90AB1PDE10AMAPT | |
| SCHEMBL4459175 | 0.93 | PDE4D (0.51) | ALDH1A1HSP90AA1HSP90AB1PDE10AMAPT | |
| SCHEMBL4459180 | 0.93 | PDE4D (0.51) | ALDH1A1HSP90AA1HSP90AB1PDE10AMAPT | |
| 4-Nitrobenzoic Acid SCHEMBL4454979 | 0.91 | KDR (0.54) | ALDH1A1HSP90AA1HSP90AB1PDE10AMAPT | |
| 4-Chloro-Benzoic Acid SCHEMBL4457911 | 0.90 | ALDH1A1 (0.49) | ALDH1A1HSP90AA1HSP90AB1PDE10AMAPT | |
| SCHEMBL4462749 | 0.90 | RCE1 (0.55) | ALDH1A1HSP90AA1HSP90AB1PDE10AMAPT | |
| SCHEMBL4468718 | 0.90 | GSTP1 (0.47) | ALDH1A1HSP90AA1HSP90AB1PDE10AMAPT | |
| SCHEMBL4468727 | 0.90 | GSTP1 (0.47) | ALDH1A1HSP90AA1HSP90AB1PDE10AMAPT | |
| SCHEMBL4461920 | 0.90 | FEN1 (0.55) | ALDH1A1HSP90AA1HSP90AB1PDE10AMAPT | |
| SCHEMBL4461928 | 0.90 | FEN1 (0.55) | ALDH1A1HSP90AA1HSP90AB1PDE10AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009140215-A2 | METHOD FOR TREATING DRUG-RESISTANT BACTERIAL AND OTHER INFECTIONS WITH CLIOQUINOL, PHANQUINONE, AND RELATED COMPOUNDS | GERAGHTY, ERIN (US) | 2009-11-19 | — | — | WO | claimed |
| WO-2009140215-A2 | METHOD FOR TREATING DRUG-RESISTANT BACTERIAL AND OTHER INFECTIONS WITH CLIOQUINOL, PHANQUINONE, AND RELATED COMPOUNDS | GERAGHTY, ERIN (US) | 2009-11-19 | — | — | WO | disclosed |