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 | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
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 SCHEMBL8550961 | 0.87 | PFKFB3 (0.31) | PFKFB3 | |
| Benzoic Acid SCHEMBL7141972 | 0.87 | HTR1F (0.37) | TDP1HSD17B10L3MBTL1KMT2AALDH1A1 | |
| Benzoic Acid SCHEMBL8549272 | 0.84 | NPC1 (0.35) | POLBHSD17B10MEN1KMT2AALDH1A1 | |
| Benzoic Acid SCHEMBL8549809 | 0.74 | FYN (0.31) | — | |
| Benzoic Acid SCHEMBL8548262 | 0.73 | — | — | |
| Acetic Acid SCHEMBL8552677 | 0.70 | MEN1 (0.36) | HSD17B10MEN1KMT2AUSP2ALDH1A1 | |
| Benzoic Acid SCHEMBL8548987 | 0.70 | NPC1 (0.35) | MEN1KMT2AALDH1A1TP53MAPT | |
| Benzoic Acid SCHEMBL8709658 | 0.63 | TMEM97 (0.33) | L3MBTL1MEN1KMT2A | |
| Benzoic Acid SCHEMBL8436196 | 0.63 | PDPK1 (0.33) | — | |
| SCHEMBL8548549 | 0.62 | HTR1F (0.50) | POLBHTR1ATP53MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5792763-A | MIGRAINES; ANALGESICS; DISEASES LINKED TO DECREASED NEUROTRANMISSION OF SEROTONIN IN MAMMALS | ELI LILLY AND COMPANY (US) | 1998-08-11 | — | — | US | disclosed |
| WO-1998015545-A1 | NEW SEROTONIN 5-HT1F AGONISTS | ELI LILLY AND COMPANY (US) | 1998-04-16 | — | — | WO | disclosed |
| EP-0835869-A2 | New serotonin 5-HT1F agonists | ELI LILLY AND COMPANY (US) | 1998-04-15 | — | — | EP | disclosed |