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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.58 |
| ▸ | DAO | P14920 | 1/20 | 0.58 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.58 |
| ▸ | CES1 | P23141 | 4/20 | 0.50 |
| ▸ | CES2 | O00748 | 3/20 | 0.50 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | RXRA | P19793 | 1/20 | 0.41 |
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 SCHEMBL29006821 | 0.92 | TSHR (0.54) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL1783310 | 0.92 | TSHR (0.54) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL5082527 | 0.90 | TSHR (0.52) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL28684602 | 0.90 | TSHR (0.52) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL4576581 | 0.89 | TSHR (0.50) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL1072571 | 0.87 | TSHR (0.48) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL29006846 | 0.87 | TSHR (0.48) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL6934526 | 0.87 | TSHR (0.64) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL2032078 | 0.87 | TSHR (0.64) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL27562905 | 0.84 | TSHR (0.74) | TSHRDAONAPRTCES1CES2 |
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-4313843-A | CHEMILUMINESCENT HAVING GOOD STORAGE STABILITY | AMERICAN CYANAMID COMPANY (US) | 1982-02-02 | — | — | US | disclosed |