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 | 0.56 |
| ▸ | DAO | P14920 | 1/20 | 0.56 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.56 |
| ▸ | CES2 | O00748 | 6/20 | 0.55 |
| ▸ | CES1 | P23141 | 6/20 | 0.55 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
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 SCHEMBL17799552 | 0.90 | CES2 (0.59) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL28678293 | 0.89 | CES2 (0.61) | TSHRDAONAPRTCES2CES1 | |
| Nonanoamide SCHEMBL27583769 | 0.87 | CES2 (0.62) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL625507 | 0.83 | TSHR (0.61) | TSHRDAONAPRTCES2CES1 | |
| Butyramide SCHEMBL2914115 | 0.83 | TPMT (0.43) | DAOCES2CES1HPGDSMN1; SMN2 | |
| Benzoic Acid SCHEMBL6130390 | 0.83 | TSHR (0.61) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL31058825 | 0.83 | CA2 (0.61) | TSHRCES2CES1L3MBTL1HPGD | |
| Benzoic Acid SCHEMBL10948080 | 0.83 | TSHR (0.67) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL578126 | 0.83 | TSHR (0.74) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL2762272 | 0.83 | TSHR (0.74) | TSHRDAONAPRTCES2CES1 |
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-113912529-B | Method for synthesizing indole compounds by catalyzing N-aryl amide compounds and vinylene carbonate with ruthenium | 成都大学 | 2023-07-25 | — | — | CN | disclosed |