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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.54 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.42 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL8430988 | 0.85 | DAO (0.42) | DAOTSHRNAPRTACHECES2 | |
| Phthalic Acid SCHEMBL8427229 | 0.85 | ALDH1A1 (0.54) | NAPRTMEN1KMT2A | |
| Phthalic Acid SCHEMBL4952404 | 0.85 | ALDH1A1 (0.54) | NAPRTMEN1KMT2A | |
| Phthalic Acid SCHEMBL5694801 | 0.78 | ALDH1A1 (0.50) | KMT2ACHRNB2CHRNA7CHRNA4 | |
| Phthalic Acid SCHEMBL5694790 | 0.78 | ALDH1A1 (0.50) | KMT2ACHRNB2CHRNA7CHRNA4 | |
| Benzoic Acid SCHEMBL2806428 | 0.75 | TSHR (0.64) | DAOTSHRNAPRTACHECES2 | |
| Benzoic Acid SCHEMBL16631990 | 0.74 | TSHR (0.70) | DAOTSHRNAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL10457491 | 0.73 | TSHR (0.88) | DAOTSHRNAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL9664197 | 0.73 | TSHR (0.88) | DAOTSHRNAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL31657264 | 0.73 | TSHR (0.88) | DAOTSHRNAPRTCES2CES1 |
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-5856513-A | METHYLATING AN N-ALKYLIMIDAZOLINE WITH DIMETHYL CARBONATE AND (B) REACTING THE RESULTING N-ALKYL-N'-METHYLIMIDAZOLINIUM METHYL CARBONATE WITH AN ORGANIC ACID, METHANOL SOLVENT | MITSUBISHI CHEMICAL CORPORATION (JP) | 1999-01-05 | — | — | US | disclosed |