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 | |
|---|---|---|---|---|
| ▸ | ALPG | P10696 | 1/20 | 0.71 |
| ▸ | TBXAS1 | P24557 | 3/20 | 0.52 |
| ▸ | PTAFR | P25105 | 3/20 | 0.52 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11263594 | 0.90 | ALPG (0.67) | ALPGTBXAS1PTAFRCYP1A2CYP3A4 | |
| Benzoic Acid SCHEMBL11271905 | 0.90 | ALPG (0.57) | ALPGTBXAS1PTAFRAKR1B1RXFP1 | |
| SCHEMBL11267399 | 0.85 | ALPG (0.64) | ALPGTBXAS1PTAFRRXFP1KDM4E | |
| SCHEMBL11002651 | 0.84 | ALPG (1.00) | ALPGTBXAS1PTAFRCYP1A2AKR1B1 | |
| SCHEMBL11269694 | 0.83 | ALPG (0.69) | ALPGTBXAS1PTAFRAKR1B1KDM4E | |
| Hydrochloric Acid SCHEMBL11272525 | 0.82 | ALPG (0.98) | ALPGTBXAS1PTAFRCYP1A2AKR1B1 | |
| SCHEMBL11263411 | 0.82 | ALPG (0.98) | ALPGTBXAS1PTAFRCYP1A2AKR1B1 | |
| SCHEMBL11263399 | 0.82 | ALPG (0.98) | ALPGTBXAS1PTAFRCYP1A2AKR1B1 | |
| SCHEMBL11273439 | 0.82 | ALPG (0.68) | ALPGTBXAS1PTAFRCYP1A2CYP3A4 | |
| SCHEMBL11279129 | 0.78 | ALPG (0.84) | ALPGTBXAS1PTAFRCYP1A2AKR1B1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4348396-A | Substituted 11-oxo-11H-pyrido[2,1-b]quinazolines and method of inhibiting allergic reactions with them | HOFFMANN-LA ROCHE INC. (US) | 1982-09-07 | — | — | US | disclosed |