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 | |
|---|---|---|---|---|
| ▸ | CACNA1F known ✓ | O60840 | 3/20 | 0.53 |
| ▸ | CACNA1D known ✓ | Q01668 | 3/20 | 0.53 |
| ▸ | CACNA1S known ✓ | Q13698 | 3/20 | 0.53 |
| ▸ | CACNA1C known ✓ | Q13936 | 3/20 | 0.53 |
| ▸ | CCR3 | P51677 | 6/20 | 0.58 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.54 |
| ▸ | DRD4 | P21917 | 3/20 | 0.53 |
| ▸ | DRD5 | P21918 | 3/20 | 0.53 |
| ▸ | HRH2 | P25021 | 3/20 | 0.53 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.53 |
| ▸ | HTR2A | P28223 | 3/20 | 0.53 |
| ▸ | HTR7 | P34969 | 3/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.53 |
| ▸ | HRH1 | P35367 | 3/20 | 0.53 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.53 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.53 |
| ▸ | DRD3 | P35462 | 3/20 | 0.53 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.53 |
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 SCHEMBL7306640 | 0.83 | TMEM97 (0.65) | CCR3SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL467351 | 0.82 | GRIN1 (0.68) | CCR3SLC6A3SLC6A2SLC6A4ADRA1D | |
| SCHEMBL8892949 | 0.77 | GRIN2B (0.71) | SLC6A3SLC6A2SLC6A4ADRA1DADRA1A | |
| SCHEMBL4512783 | 0.77 | DRD2 (0.71) | CCR3HTR2AADRA1AOPRM1DRD3 | |
| SCHEMBL10554386 | 0.76 | SLC6A3 (0.60) | SLC6A3SLC6A2SLC6A4CACNA1FDRD4 | |
| SCHEMBL10363519 | 0.76 | SCN5A (0.51) | SLC6A3SLC6A2SLC6A4CACNA1FDRD4 | |
| SCHEMBL10362223 | 0.76 | SCN5A (0.51) | SLC6A3SLC6A2SLC6A4CACNA1FDRD4 | |
| Hydrochloric Acid SCHEMBL7303580 | 0.76 | DRD2 (0.69) | CCR3HTR2AADRA1AOPRM1DRD3 | |
| Hydrochloric Acid SCHEMBL10557900 | 0.75 | SLC6A3 (0.59) | SLC6A3SLC6A2SLC6A4CACNA1FDRD4 | |
| SCHEMBL5864076 | 0.75 | DRD4 (0.57) | SLC6A3SLC6A2SLC6A4CACNA1FDRD4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5395841-A | 4-benzylpiperidines for treating phychosis | FERRER INTERNACIONAL, S.A. (ES) | 1995-03-07 | — | — | US | claimed |
| US-5395841-A | 4-benzylpiperidines for treating phychosis | FERRER INTERNACIONAL, S.A. (ES) | 1995-03-07 | — | — | US | disclosed |
| EP-0572952-A1 | 4-Benzylpiperidine derivatives, a process for preparing them and pharmaceutical compositions containing them | FERRER INTERNACIONAL, S.A. (ES) | 1993-12-08 | — | — | EP | disclosed |