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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA3 | P32297 | 3/20 | 0.52 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.52 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.52 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.52 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.52 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.49 |
| ▸ | CHRNG | P07510 | 1/20 | 0.49 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.49 |
| ▸ | CHRND | Q07001 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7411396 | 0.86 | CHRNB2 (0.68) | CHRNA3CHRNA7CHRNB2CHRNB4CHRNA4 | |
| Benzoic Acid SCHEMBL7413231 | 0.84 | CHRNA3 (0.50) | CHRNA3CHRNA7CHRNB2CHRNB4CHRNA4 | |
| Benzoic Acid SCHEMBL7411732 | 0.77 | CHRNB2 (0.49) | CHRNB2CHRNA4 | |
| Benzoic Acid SCHEMBL7829041 | 0.77 | CHRNB2 (0.49) | CHRNA3CHRNA7CHRNB2CHRNB4CHRNA4 | |
| SCHEMBL7417092 | 0.75 | CHRNB2 (0.48) | CHRNA3CHRNA7CHRNB2CHRNB4CHRNA4 | |
| SCHEMBL6584275 | 0.72 | CHRNB2 (0.51) | CHRNA3CHRNA7CHRNB2CHRNB4CHRNA4 | |
| SCHEMBL5155727 | 0.71 | LTA4H (0.62) | CHRNA3 | |
| SCHEMBL5155735 | 0.71 | LTA4H (0.62) | CHRNA3 | |
| Hydrochloric Acid SCHEMBL6587992 | 0.71 | CHRNB2 (0.50) | CHRNA3CHRNA7CHRNB2CHRNB4CHRNA4 | |
| SCHEMBL21601258 | 0.71 | NPC1 (0.54) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1047690-A1 | HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | Abbott Laboratories (US) | 2000-11-02 | — | — | EP | disclosed |
| WO-1999032480-A1 | HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | ABBOTT LABORATORIES (US) | 1999-07-01 | — | — | WO | disclosed |