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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 5/20 | 0.49 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
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 SCHEMBL7829041 | 0.87 | CHRNB2 (0.49) | CHRNB2CHRNA4 | |
| SCHEMBL7824395 | 0.86 | KDM4E (0.54) | CHRNB2CHRNA4KDM4ECYP1A2CYP2D6 | |
| SCHEMBL7825469 | 0.86 | KDM4E (0.54) | CHRNB2CHRNA4KDM4ECYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL7408711 | 0.85 | KDM4E (0.52) | CHRNB2CHRNA4KDM4ECYP1A2CYP2D6 | |
| Benzoic Acid SCHEMBL7413231 | 0.78 | CHRNA3 (0.50) | CHRNB2CHRNA4 | |
| SCHEMBL7825928 | 0.78 | CHRNA3 (0.56) | CHRNB2CHRNA4 | |
| SCHEMBL7825114 | 0.78 | CHRNA3 (0.56) | CHRNB2CHRNA4 | |
| Benzoic Acid SCHEMBL7410257 | 0.77 | CHRNA3 (0.52) | CHRNB2CHRNA4 | |
| Benzoic Acid SCHEMBL7477571 | 0.76 | ESR1 (0.39) | KDM4ECYP2D6CYP2C9 | |
| SCHEMBL7478766 | 0.74 | KDM4E (0.55) | CHRNB2CHRNA4KDM4ECYP1A2CYP2D6 |
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-0846114-B1 | 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | ABBOTT LAB (US) | 2001-12-05 | — | — | EP | disclosed |
| 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 |