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 | |
|---|---|---|---|---|
| ▸ | LPAR1 | Q92633 | 5/20 | 0.50 |
| ▸ | LPAR5 | Q9H1C0 | 5/20 | 0.50 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.48 |
| ▸ | DAO | P14920 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.47 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.44 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.44 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.43 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.43 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| 4-Methylbenzoic Acid SCHEMBL8025658 | 0.91 | SRD5A2 (0.50) | LPAR1LPAR5TAS2R14SRD5A2NPC1 | |
| SCHEMBL8035295 | 0.91 | PDE4A (0.50) | LPAR1LPAR5TAS2R14SRD5A2ALOX5 | |
| SCHEMBL828470 | 0.86 | TAAR1 (0.58) | ALOX5TAAR1 | |
| Hydrochloric Acid SCHEMBL3660923 | 0.84 | TAAR1 (0.56) | ALOX5TAAR1 | |
| Benzoic Acid SCHEMBL4779307 | 0.78 | DAO (0.70) | DAOTSHRNAPRTSRD5A2NPC1 | |
| Dimethyl Sulfoxide SCHEMBL28283572 | 0.77 | TAAR1 (0.48) | ALOX5TAAR1 | |
| SCHEMBL11808668 | 0.74 | KCNH2 (0.57) | TAAR1 | |
| SCHEMBL27759039 | 0.74 | ALDH1A1 (0.50) | ALOX5TAAR1NPC1RAB9AMEN1 | |
| SCHEMBL5544624 | 0.74 | TAAR1 (0.48) | LPAR1LPAR5ALOX5TAAR1NPC1 | |
| Terephthalic Acid SCHEMBL1887306 | 0.73 | TSHR (0.62) | DAOTSHRNAPRTSRD5A2NR4A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |