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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | PHF13 | Q86YI8 | 1/20 | 0.38 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
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) | HTTHCAR2MEN1KMT2AESR1 | |
| Benzoic Acid SCHEMBL7409792 | 0.86 | PPARG (0.43) | HTTHCAR2CHRNB2CHRNA4KDM4E | |
| Hydrochloric Acid SCHEMBL7669872 | 0.83 | CHRNB2 (0.51) | CHRNB2CHRNA4GAAPHF13L3MBTL3 | |
| Benzoic Acid SCHEMBL7413764 | 0.81 | ESR1 (0.37) | POLBKDM4EGAAALDH1A1ESR1 | |
| Benzoic Acid SCHEMBL23501628 | 0.78 | ALOX15 (0.48) | ALOX15HTTPOLBHCAR2NPC1 | |
| Benzoic Acid SCHEMBL7477571 | 0.77 | ESR1 (0.39) | KDM4EALDH1A1ESR1ESR2 | |
| Benzoic Acid SCHEMBL7672846 | 0.76 | NAPRT (0.44) | CHRNB2CHRNA4KDM4EALDH1A1ESR1 | |
| SCHEMBL2935953 | 0.68 | CHRNB2 (0.57) | POLBCHRNB2CHRNA4KDM4EGAA | |
| SCHEMBL7404714 | 0.68 | GRM5 (0.38) | CHRNB2CHRNA4 | |
| SCHEMBL7407302 | 0.68 | CHRNB2 (0.54) | CHRNB2CHRNA4KDM4EL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-0950057-A1 | 3-PYRIDYL ENANTIOMERS AND THEIR USE AS ANALGESICS | Abbott Laboratories (US) | 1999-10-20 | — | — | EP | disclosed |
| WO-1998025920-A1 | 3-PYRIDYL ENANTIOMERS AND THEIR USE AS ANALGESICS | ABBOTT LABORATORIES (US) | 1998-06-18 | — | — | WO | disclosed |