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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 6/20 | 0.49 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.49 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.44 |
| ▸ | MRGPRX4 | Q96LA9 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 SCHEMBL7792805 | 0.92 | PPARA (0.43) | MAOBNR4A2FFAR1FFAR4MRGPRX4 | |
| SCHEMBL7800259 | 0.91 | MAOB (0.58) | MAOBFFAR1FFAR4NPC1RAB9A | |
| Benzoic Acid SCHEMBL7798612 | 0.90 | MAOB (0.51) | MAOBNR4A2FFAR1FFAR4MRGPRX4 | |
| Phenethylamine SCHEMBL7800462 | 0.88 | TAAR1 (0.52) | MAOBNR4A2MRGPRX4SMN1; SMN2MEN1 | |
| SCHEMBL7802496 | 0.87 | RXRA (0.46) | MAOBNR4A2SMN1; SMN2CYP1A1CYP1B1 | |
| 4-Methylbenzoic Acid SCHEMBL8035699 | 0.85 | MAOB (0.43) | MAOBNR4A2MRGPRX4SMN1; SMN2CYP1A1 | |
| SCHEMBL8037475 | 0.84 | RXRA (0.44) | MAOBNR4A2MRGPRX4SMN1; SMN2CYP1A1 | |
| Benzoic Acid SCHEMBL7800370 | 0.83 | MEN1 (0.53) | MAOBNR4A2MRGPRX4MEN1NPC1 | |
| Benzoic Acid SCHEMBL8035799 | 0.82 | TAAR1 (0.44) | MAOBNR4A2MRGPRX4SMN1; SMN2TP53 | |
| SCHEMBL7801557 | 0.81 | MAOB (0.51) | MAOBSMN1; SMN2CYP1A1CYP1B1PPARA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1076649-A1 | ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME | TREGA BIOSCIENCES, INC. (US) | 2001-02-21 | — | — | EP | disclosed |
| US-6127381-A | A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY | LION BIOSCIENCE AG (DE) | 2000-10-03 | — | — | US | disclosed |
| WO-1999055679-A1 | ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME | TREGA BIOSCIENCES, INC. (US) | 1999-11-04 | — | — | WO | disclosed |