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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | PLA2G4B | P0C869 | 4/20 | 0.49 |
| ▸ | CES2 | O00748 | 2/20 | 0.47 |
| ▸ | CES1 | P23141 | 2/20 | 0.47 |
| ▸ | RARB | P10826 | 7/20 | 0.47 |
| ▸ | NAAA | Q02083 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | RARA | P10276 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | MTOR | P42345 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.44 |
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 SCHEMBL16047311 | 0.83 | TSHR (0.64) | TP53TSHRPLA2G4BCES2CES1 | |
| Dodecane SCHEMBL29930922 | 0.83 | TSHR (0.64) | TP53TSHRPLA2G4BCES2CES1 | |
| Dodecane SCHEMBL28594534 | 0.83 | TSHR (0.64) | TP53TSHRPLA2G4BCES2CES1 | |
| Benzoic Acid SCHEMBL8371517 | 0.83 | TSHR (0.64) | TP53TSHRPLA2G4BCES2CES1 | |
| Undecane SCHEMBL15129102 | 0.83 | TSHR (0.64) | TP53TSHRPLA2G4BCES2CES1 | |
| Hexadecane SCHEMBL28733004 | 0.83 | TSHR (0.64) | TP53TSHRPLA2G4BCES2CES1 | |
| Benzoic Acid SCHEMBL9089056 | 0.83 | TSHR (0.64) | TP53TSHRPLA2G4BCES2CES1 | |
| Benzoic Acid SCHEMBL28845500 | 0.81 | TSHR (0.67) | TP53TSHRPLA2G4BCES2CES1 | |
| Benzoic Acid SCHEMBL27413851 | 0.81 | TSHR (0.67) | TP53TSHRPLA2G4BCES2CES1 | |
| Benzoic Acid SCHEMBL9594281 | 0.81 | TSHR (0.67) | TP53TSHRPLA2G4BCES2CES1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110431195-B | Antifouling composition | 佐敦有限公司 | 2022-02-08 | — | — | CN | disclosed |