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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 2/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.41 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | KCNQ3 | O43525 | 2/20 | 0.40 |
| ▸ | KCNQ2 | O43526 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.40 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL3662113 | 0.85 | CHRNA3 (0.51) | CHRNA3CHRNB1CHRNB2CHRNB4CHRNA4 | |
| Hydrochloric Acid SCHEMBL7663501 | 0.84 | CHRNA3 (0.50) | CHRNA3CHRNB1CHRNB2CHRNB4CHRNA4 | |
| Hydrochloric Acid SCHEMBL7674172 | 0.84 | CHRNA3 (0.50) | CHRNA3CHRNB1CHRNB2CHRNB4CHRNA4 | |
| SCHEMBL7462908 | 0.82 | CHRNA3 (0.51) | CHRNA3CHRNB1CHRNB2CHRNB4CHRNA4 | |
| Benzoic Acid SCHEMBL7477571 | 0.76 | ESR1 (0.39) | LTA4HESR1ESR2KDM4EHRH4 | |
| Benzoic Acid SCHEMBL7413764 | 0.76 | ESR1 (0.37) | LTA4HESR1ESR2KDM4EHRH4 | |
| Benzoic Acid SCHEMBL7664241 | 0.76 | ALOX15 (0.44) | ESR1ESR2CHRNB2CHRNA4KDM4E | |
| Benzoic Acid SCHEMBL7480908 | 0.76 | HCAR2 (0.42) | LTA4HESR1ESR2HRH4NR4A2 | |
| Benzoic Acid SCHEMBL7409792 | 0.76 | PPARG (0.43) | LTA4HESR1ESR2CHRNA3CHRNB1 | |
| SCHEMBL7474736 | 0.75 | ALDH1A1 (0.42) | CHRNA3CHRNB1CHRNB2CHRNB4CHRNA4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1125064-C | 3-pyridyl enantiomers and their use as analgesics | ABBOTT LAB (US) | 2003-10-22 | — | — | CN | disclosed |
| US-6403575-B1 | ANTI-INFLAMMATORIES | ABBOTT LABORATORIES | 2002-06-11 | — | — | US | disclosed |
| US-6133253-A | NEURONAL CELL DEATH PREVENTORS AND ANTI-INFLAMMATORIES | ABBOTT LABORATORIES (US) | 2000-10-17 | — | — | US | disclosed |
| CN-1245496-A | 3-pyridyl enantiomers and their use as analgesics | ABBOTT LAB (US) | 2000-02-23 | — | — | CN | disclosed |