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 | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 4/20 | 0.36 |
| ▸ | CES1 | P23141 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | KDM5C | P41229 | 2/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.34 |
| ▸ | KDM2A | Q9Y2K7 | 2/20 | 0.34 |
| ▸ | KDM3A | Q9Y4C1 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Phthalic Acid SCHEMBL3496063 | 0.87 | KDM4E (0.38) | USP2BLMKDM4EGAAMAPT | |
| Phthalic Acid SCHEMBL4065865 | 0.85 | MYC (0.38) | KDM4EGAAMAPTTSHRKMT2A | |
| Salicylic Acid SCHEMBL3495655 | 0.83 | KDM4E (0.51) | CA2CA4USP2KDM4ENPC1 | |
| Benzoic Acid SCHEMBL8427605 | 0.81 | CA2 (0.52) | CA2CA4USP2NPC1GAA | |
| Phthalic Acid SCHEMBL8446762 | 0.72 | EEF2K (0.38) | KDM4ENPC1GAAMAPTRAB9A | |
| Benzoic Acid SCHEMBL348475 | 0.71 | CA2 (0.77) | CA2CA4CES2CES1KDM4E | |
| Benzoic Acid SCHEMBL28071692 | 0.71 | CA2 (0.94) | CA2CA4BLMCES2CES1 | |
| SCHEMBL21049559 | 0.71 | INMT (0.33) | — | |
| SCHEMBL1831537 | 0.70 | APOBEC3A (0.31) | — | |
| Benzoic Acid SCHEMBL28868137 | 0.69 | CA2 (0.74) | CA2CA4CES2CES1MAPT |
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 |