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.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 SCHEMBL8549809 | 0.95 | FYN (0.31) | — | |
| Benzoic Acid SCHEMBL8552961 | 0.86 | MEN1 (0.30) | — | |
| Benzoic Acid SCHEMBL7141730 | 0.82 | HTR1F (0.34) | — | |
| Benzoic Acid SCHEMBL8551806 | 0.81 | MEN1 (0.31) | — | |
| Benzoic Acid SCHEMBL8549272 | 0.77 | NPC1 (0.35) | — | |
| Benzoic Acid SCHEMBL8695202 | 0.73 | MEN1 (0.31) | — | |
| Benzoic Acid SCHEMBL8436196 | 0.71 | PDPK1 (0.33) | — | |
| Benzoic Acid SCHEMBL8435537 | 0.69 | PDPK1 (0.33) | — | |
| Benzoic Acid SCHEMBL8709658 | 0.68 | TMEM97 (0.33) | — | |
| Benzoic Acid SCHEMBL8548987 | 0.63 | NPC1 (0.35) | — |
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-0835869-A2 | New serotonin 5-HT1F agonists | ELI LILLY AND COMPANY (US) | 1998-04-15 | — | — | EP | disclosed |