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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 9/20 | 0.61 |
| ▸ | PPARG | P37231 | 8/20 | 0.61 |
| ▸ | PPARD | Q03181 | 2/20 | 0.50 |
| ▸ | CTSS | P25774 | 5/20 | 0.47 |
| ▸ | ACE | P12821 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 4/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.42 |
| ▸ | CTSB | P07858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | JAK3 | P52333 | 1/20 | 0.40 |
| ▸ | BTK | Q06187 | 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 | |
|---|---|---|---|---|
| SCHEMBL614208 | 0.88 | PPARA (0.53) | PPARAPPARGPPARDCTSSACE | |
| SCHEMBL1430675 | 0.88 | PPARA (0.53) | PPARAPPARGPPARDCTSSACE | |
| SCHEMBL614209 | 0.88 | PPARA (0.53) | PPARAPPARGPPARDCTSSACE | |
| SCHEMBL21704499 | 0.81 | PPARA (0.59) | PPARAPPARGCTSSACECTSK | |
| Benzoic Acid SCHEMBL9537940 | 0.79 | PPARA (0.58) | PPARAPPARGPPARDCTSSACE | |
| Serine SCHEMBL8588277 | 0.79 | PPARA (0.46) | PPARAPPARGPPARDCTSSACE | |
| SCHEMBL5347920 | 0.79 | PPARA (0.60) | PPARAPPARGPPARDCTSSACE | |
| Serine SCHEMBL8588281 | 0.79 | PPARA (0.46) | PPARAPPARGPPARDCTSSACE | |
| SCHEMBL5347917 | 0.79 | PPARA (0.60) | PPARAPPARGPPARDCTSSACE | |
| SCHEMBL4979372 | 0.79 | PPARA (0.60) | PPARAPPARGPPARDCTSSACE |
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 |