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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | F2R | P25116 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 6/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | SENP5 | Q96HI0 | 1/20 | 0.33 |
| ▸ | SENP2 | Q9HC62 | 1/20 | 0.33 |
| ▸ | SENP1 | Q9P0U3 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
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 SCHEMBL8549272 | 0.85 | NPC1 (0.35) | NPC1RAB9AMCHR1ALDH1A1GAA | |
| Benzoic Acid SCHEMBL8191205 | 0.85 | HTR1F (0.45) | NPC1RAB9AALDH1A1GAAALOX15 | |
| Benzoic Acid SCHEMBL8550961 | 0.84 | PFKFB3 (0.31) | — | |
| Benzoic Acid SCHEMBL8551806 | 0.79 | MEN1 (0.31) | MAPK1LMNAMEN1KMT2A | |
| Benzoic Acid SCHEMBL8552961 | 0.77 | MEN1 (0.30) | MAPK1MEN1KMT2A | |
| Benzoic Acid SCHEMBL8709658 | 0.77 | TMEM97 (0.33) | MEN1KMT2A | |
| Benzoic Acid SCHEMBL8694945 | 0.72 | MAPT (0.31) | ALDH1A1MAPK1LMNATP53MAPT | |
| Benzoic Acid SCHEMBL7141972 | 0.70 | HTR1F (0.37) | ALDH1A1MAPK1LMNAMAPTKMT2A | |
| Benzoic Acid SCHEMBL8436196 | 0.70 | PDPK1 (0.33) | MAPK1 | |
| Benzoic Acid SCHEMBL8549096 | 0.70 | POLB (0.35) | ALDH1A1TP53MAPTMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-5792763-A | MIGRAINES; ANALGESICS; DISEASES LINKED TO DECREASED NEUROTRANMISSION OF SEROTONIN IN MAMMALS | ELI LILLY AND COMPANY (US) | 1998-08-11 | — | — | US | disclosed |
| EP-0835869-A2 | New serotonin 5-HT1F agonists | ELI LILLY AND COMPANY (US) | 1998-04-15 | — | — | EP | disclosed |