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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 6/20 | 0.58 |
| ▸ | PPARG | P37231 | 5/20 | 0.58 |
| ▸ | KLK7 | P49862 | 4/20 | 0.48 |
| ▸ | KLK5 | Q9Y337 | 3/20 | 0.48 |
| ▸ | PPARD | Q03181 | 2/20 | 0.47 |
| ▸ | CTSS | P25774 | 3/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | ACE | P12821 | 1/20 | 0.43 |
| ▸ | PTPN2 | P17706 | 3/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.42 |
| ▸ | CDC25B | P30305 | 3/20 | 0.42 |
| ▸ | CDC25A | P30304 | 2/20 | 0.42 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.42 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 2/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
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 SCHEMBL9540832 | 0.79 | PPARA (0.61) | PPARAPPARGPPARDCTSSIDO1 | |
| SCHEMBL5001274 | 0.75 | PPARA (0.67) | PPARAPPARGKLK7KLK5PPARD | |
| SCHEMBL5001271 | 0.75 | PPARA (0.67) | PPARAPPARGKLK7KLK5PPARD | |
| Benzoic Acid SCHEMBL283023 | 0.74 | DAO (0.50) | — | |
| SCHEMBL18335299 | 0.74 | PPARA (0.63) | PPARAPPARGPPARDCTSSIDO1 | |
| SCHEMBL17051 | 0.74 | PPARA (0.90) | PPARAPPARGKLK7KLK5PPARD | |
| SCHEMBL828674 | 0.74 | PPARA (0.90) | PPARAPPARGKLK7KLK5PPARD | |
| SCHEMBL1132901 | 0.74 | PPARA (0.90) | PPARAPPARGKLK7KLK5PPARD | |
| SCHEMBL3821539 | 0.74 | PPARA (0.63) | PPARAPPARGPPARDCTSSIDO1 | |
| SCHEMBL19641746 | 0.74 | CA1 (0.41) | KLK7KLK5CTSSCTSKCTSL |
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-1993005011-A1 | NOVEL IMMUNOSUPPRESSANTS | SANDOZ LTD. (CH) | 1993-03-18 | — | — | WO | disclosed |