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 | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 5/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.35 |
| ▸ | MEN1 | O00255 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | THRB | P10828 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | SENP5 | Q96HI0 | 1/20 | 0.33 |
| ▸ | SENP2 | Q9HC62 | 1/20 | 0.33 |
| ▸ | SENP1 | Q9P0U3 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.32 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 3/20 | 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 SCHEMBL7141174 | 0.86 | HTR1F (0.41) | ACHEBCHEMAPTKMT2AMEN1 | |
| Benzoic Acid SCHEMBL8691851 | 0.86 | BCHE (0.37) | ACHEBCHEMAPTKMT2AMEN1 | |
| Benzoic Acid SCHEMBL8552961 | 0.74 | MEN1 (0.30) | KMT2AMEN1MAPK1 | |
| Benzoic Acid SCHEMBL8709658 | 0.74 | TMEM97 (0.33) | KMT2AMEN1SIGMAR1L3MBTL1 | |
| Benzoic Acid SCHEMBL8435537 | 0.68 | PDPK1 (0.33) | MAPTLMNAMAPK1DGAT1 | |
| Benzoic Acid SCHEMBL8549809 | 0.62 | FYN (0.31) | — | |
| SCHEMBL3983838 | 0.58 | ALDH1A1 (0.73) | KMT2AMEN1ALDH1A1SMN1; SMN2TP53 | |
| SCHEMBL14659222 | 0.58 | ALDH1A1 (0.50) | ACHEBCHEMAPTKMT2AMEN1 | |
| SCHEMBL2475633 | 0.58 | BCHE (0.84) | ACHEBCHEMAPTKMT2AMEN1 | |
| SCHEMBL9148099 | 0.58 | ALDH1A1 (0.60) | MAPTKMT2AMEN1ALDH1A1KDM4E |
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 |