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 | 2/20 | 0.70 |
| ▸ | DAO | P14920 | 1/20 | 0.70 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.70 |
| ▸ | TPMT | P51580 | 1/20 | 0.68 |
| ▸ | RXRA | P19793 | 1/20 | 0.65 |
| ▸ | RXRB | P28702 | 1/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | CES2 | O00748 | 2/20 | 0.58 |
| ▸ | CES1 | P23141 | 2/20 | 0.58 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.52 |
| ▸ | KMO | O15229 | 1/20 | 0.50 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
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 SCHEMBL26106958 | 0.91 | DAO (0.64) | TSHRDAONAPRTTPMTRXRA | |
| Benzoic Acid SCHEMBL28611216 | 0.91 | DAO (0.64) | TSHRDAONAPRTTPMTRXRA | |
| Benzoic Acid SCHEMBL27514753 | 0.89 | RXRA (0.70) | TSHRDAONAPRTTPMTRXRA | |
| Isophthalic Acid SCHEMBL19512128 | 0.88 | TPMT (0.65) | TSHRDAONAPRTTPMTRXRA | |
| Benzoic Acid SCHEMBL6318128 | 0.88 | TSHR (0.54) | TSHRDAONAPRTTPMTRXRA | |
| Benzoic Acid SCHEMBL10436416 | 0.87 | TSHR (0.74) | TSHRDAONAPRTTPMTRXRA | |
| Benzoic Acid SCHEMBL3897333 | 0.87 | ALDH1A1 (0.80) | TSHRDAONAPRTTPMTSMN1; SMN2 | |
| Benzoic Acid SCHEMBL5706549 | 0.87 | TSHR (0.74) | TSHRDAONAPRTTPMTRXRA | |
| Orcinol SCHEMBL9339416 | 0.87 | HCAR1 (0.67) | TSHRDAONAPRTTPMTRXRA | |
| Benzoic Acid SCHEMBL7514531 | 0.87 | TSHR (0.93) | TSHRDAONAPRTALDH1A1CES2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117003711-A | 1, 4-benzoxazine spiro derivative and synthetic method and application thereof | 河南农业大学 | 2023-11-07 | — | — | CN | claimed |
| CN-118240886-A | Method for synthesizing ethyl salicylate compound by biological enzyme catalysis | 济南大学 | 2024-06-25 | — | — | CN | disclosed |
| CN-117003711-A | 1, 4-benzoxazine spiro derivative and synthetic method and application thereof | 河南农业大学 | 2023-11-07 | — | — | CN | disclosed |
| CN-112159429-B | Preparation method of bis (2,4, 6-trimethylbenzoyl) phenylphosphine oxide | 天津久日新材料股份有限公司 | 2022-06-21 | — | — | CN | disclosed |
| CN-112175005-A | Application of activator in reduction reaction of phenyl phosphine dichloride | 天津久日新材料股份有限公司 | 2021-01-05 | — | — | CN | disclosed |
| CN-112159429-A | Preparation method of bis (2,4, 6-trimethylbenzoyl) phenylphosphine oxide | 天津久日新材料股份有限公司 | 2021-01-01 | — | — | CN | disclosed |
| CN-112094296-A | Preparation method of bis (2,4, 6-trimethylbenzoyl) phenylphosphine oxide | 山东久日化学科技有限公司 | 2020-12-18 | — | — | CN | disclosed |
| CN-110551106-A | 7-alkyl-N-pyrimidine indoline compound and preparation method thereof | UNIV ZHENGZHOU | 2019-12-10 | — | — | CN | disclosed |