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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 3/20 | 0.39 |
| ▸ | MME | P08473 | 2/20 | 0.38 |
| ▸ | ACE | P12821 | 2/20 | 0.38 |
| ▸ | CPA1 | P15085 | 2/20 | 0.38 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | MMEL1 | Q495T6 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
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 SCHEMBL9683590 | 0.90 | MMEL1 (0.46) | PTGESMMEACECPA1ACE2 | |
| Benzoic Acid SCHEMBL7319870 | 0.87 | MME (0.38) | PTGESTP53MMEACECPA1 | |
| SCHEMBL7312857 | 0.79 | MME (0.37) | MMEACECPA1ACE2BCHE | |
| SCHEMBL7318600 | 0.76 | MMEL1 (0.39) | MAPTMMEL1 | |
| SCHEMBL7319529 | 0.71 | MMEL1 (0.39) | MMEL1 | |
| SCHEMBL7312321 | 0.71 | MME (0.48) | MMEACEMMEL1 | |
| SCHEMBL7348558 | 0.71 | MME (0.48) | MMEACEMMEL1 | |
| SCHEMBL7314865 | 0.70 | MMEL1 (0.38) | MMEL1 | |
| SCHEMBL7317919 | 0.69 | PPID (0.41) | TP53MMEMAPT | |
| SCHEMBL7343809 | 0.69 | MMEL1 (0.50) | MMEL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0592367-A2 | Phosphono/biaryl substituted dipeptide derivatives | CIBA-GEIGY AG (CH) | 1994-04-13 | — | — | EP | disclosed |
| US-5294632-A | Diuretics and vasorelaxants | CIBA-GEIGY CORPORATION (US) | 1994-03-15 | — | — | US | disclosed |
| US-5155100-A | Treating cardiovascular disorders in mammals | CIBA-GEIGY CORPORATION (US) | 1992-10-13 | — | — | US | disclosed |