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 | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | CHRNB1 | P11230 | 2/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.42 |
| ▸ | CHRNB3 | Q05901 | 2/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.37 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
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 SCHEMBL7480908 | 0.86 | HCAR2 (0.42) | HCAR2ESR1ESR2LTA4HHRH3 | |
| Benzoic Acid SCHEMBL7664241 | 0.86 | ALOX15 (0.44) | HCAR2CHRNB2CHRNA4ESR1ESR2 | |
| SCHEMBL7407302 | 0.84 | CHRNB2 (0.54) | CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3 | |
| Hydrochloric Acid SCHEMBL7410816 | 0.83 | CHRNB2 (0.52) | CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3 | |
| SCHEMBL7457185 | 0.82 | CHRNB2 (0.54) | CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3 | |
| Benzoic Acid SCHEMBL7477571 | 0.81 | ESR1 (0.39) | ESR1ESR2LTA4HHRH3CYP2D6 | |
| Benzoic Acid SCHEMBL7413764 | 0.77 | ESR1 (0.37) | ESR1ESR2LTA4HHRH3CYP2D6 | |
| Benzoic Acid SCHEMBL7672846 | 0.76 | NAPRT (0.44) | CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3 | |
| SCHEMBL7409856 | 0.68 | CHRNB2 (0.56) | CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3 | |
| SCHEMBL7404714 | 0.68 | GRM5 (0.38) | CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3 |
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 8 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 |
| EP-1047690-A1 | HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | Abbott Laboratories (US) | 2000-11-02 | — | — | EP | 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 |
| EP-0950057-A1 | 3-PYRIDYL ENANTIOMERS AND THEIR USE AS ANALGESICS | Abbott Laboratories (US) | 1999-10-20 | — | — | EP | disclosed |
| WO-1999032480-A1 | HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | ABBOTT LABORATORIES (US) | 1999-07-01 | — | — | WO | disclosed |
| WO-1998025920-A1 | 3-PYRIDYL ENANTIOMERS AND THEIR USE AS ANALGESICS | ABBOTT LABORATORIES (US) | 1998-06-18 | — | — | WO | disclosed |