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 | 5/20 | 0.59 |
| ▸ | CA4 | P22748 | 1/20 | 0.59 |
| ▸ | CES1 | P23141 | 7/20 | 0.48 |
| ▸ | CES2 | O00748 | 6/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | NAAA | Q02083 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 4/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.38 |
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 SCHEMBL50603 | 0.89 | CA2 (0.55) | CA2CA4CES1CES2LMNA | |
| Benzoic Acid SCHEMBL3991688 | 0.86 | CES2 (0.54) | CA2CA4CES1CES2LMNA | |
| Benzoic Acid SCHEMBL348475 | 0.79 | CA2 (0.77) | CA2CA4CES1CES2LMNA | |
| Benzoic Acid SCHEMBL386950 | 0.79 | CA2 (0.76) | CA2CA4CES1CES2USP2 | |
| Terephthalic Acid SCHEMBL28928411 | 0.78 | CA2 (0.44) | CA2CA4CES1CES2MAPT | |
| Benzoic Acid SCHEMBL11453165 | 0.78 | CA2 (0.61) | CA2CA4CES1CES2LMNA | |
| Benzoic Acid SCHEMBL11789341 | 0.78 | CA2 (0.94) | CA2CA4CES1CES2LMNA | |
| Benzoic Acid SCHEMBL1040514 | 0.78 | CA2 (0.67) | CA2CA4CES1CES2LMNA | |
| Benzoic Acid SCHEMBL11806242 | 0.78 | CA2 (0.67) | CA2CA4CES1CES2LMNA | |
| Benzoic Acid SCHEMBL28868137 | 0.78 | CA2 (0.74) | CA2CA4CES1CES2SMN1; SMN2 |
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-3931224-A | Aromatic imidodicarboxylic acid diallyl esters, prepolymers thereof, cured resins thereof, and processes for producing these | TEIJIN LIMITED (JA) | 1976-01-06 | — | — | US | disclosed |