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 | |
|---|---|---|---|---|
| ▸ | MMEL1 | Q495T6 | 1/20 | 0.46 |
| ▸ | PTGES | O14684 | 2/20 | 0.42 |
| ▸ | MME | P08473 | 2/20 | 0.42 |
| ▸ | ACE | P12821 | 2/20 | 0.42 |
| ▸ | CPA1 | P15085 | 2/20 | 0.42 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | ADCY6 | O43306 | 1/20 | 0.39 |
| ▸ | ADCY3 | O60266 | 1/20 | 0.39 |
| ▸ | ADCY9 | O60503 | 1/20 | 0.39 |
| ▸ | ADCY5 | O95622 | 1/20 | 0.39 |
| ▸ | ADCY8 | P40145 | 1/20 | 0.39 |
| ▸ | GCGR | P47871 | 1/20 | 0.39 |
| ▸ | ADCY7 | P51828 | 1/20 | 0.39 |
| ▸ | ADCY2 | Q08462 | 1/20 | 0.39 |
| ▸ | ADCY1 | Q08828 | 1/20 | 0.39 |
| ▸ | ADCY4 | Q8NFM4 | 1/20 | 0.39 |
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 SCHEMBL7322120 | 0.90 | PTGES (0.39) | MMEL1PTGESMMEACECPA1 | |
| Benzoic Acid SCHEMBL7319870 | 0.77 | MME (0.38) | PTGESMMEACECPA1ACE2 | |
| SCHEMBL7316590 | 0.75 | MMEL1 (0.58) | MMEL1MMEACE | |
| SCHEMBL7310435 | 0.75 | MMEL1 (0.58) | MMEL1MMEACE | |
| SCHEMBL3638965 | 0.71 | MMEL1 (0.61) | MMEL1MMEACE | |
| SCHEMBL7316745 | 0.71 | MMEL1 (0.48) | MMEL1GCGR | |
| SCHEMBL7316749 | 0.71 | MMEL1 (0.48) | MMEL1GCGR | |
| SCHEMBL7322150 | 0.71 | MMEL1 (0.53) | MMEL1MMEACEADCY6ADCY3 | |
| SCHEMBL7309958 | 0.71 | MMEL1 (0.58) | MMEL1MMEACE | |
| SCHEMBL7318079 | 0.71 | MMEL1 (0.58) | MMEL1MMEACE |
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 |
|---|---|---|---|---|---|---|---|
| EP-0511940-A2 | Phosphono/biaryl substituted dipeptide derivatives | CIBA-GEIGY AG (CH) | 1992-11-04 | — | — | EP | claimed |