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 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | AKT1 | P31749 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.36 |
| ▸ | CTSG | P08311 | 1/20 | 0.36 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.36 |
| ▸ | CMA1 | P23946 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 2/20 | 0.36 |
| ▸ | RXRB | P28702 | 1/20 | 0.36 |
| ▸ | RXRG | P48443 | 1/20 | 0.36 |
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 SCHEMBL27534918 | 0.87 | TSHR (0.54) | TSHRDAONAPRTAKT1THRB | |
| Benzoic Acid SCHEMBL57704 | 0.86 | TSHR (0.48) | TSHRDAONAPRTAKT1ALDH1A1 | |
| Benzoic Acid SCHEMBL28161348 | 0.86 | TSHR (0.52) | TSHRDAONAPRTAKT1CYP3A4 | |
| Benzoic Acid SCHEMBL28608770 | 0.86 | TSHR (0.52) | TSHRDAONAPRTAKT1THRB | |
| Benzoic Acid SCHEMBL28072643 | 0.86 | THRB (0.39) | TSHRDAONAPRTAKT1ALDH1A1 | |
| Benzoic Acid SCHEMBL2426070 | 0.84 | ALDH1A1 (0.46) | TSHRDAONAPRTAKT1ALDH1A1 | |
| Benzoic Acid SCHEMBL204568 | 0.82 | TSHR (0.61) | TSHRDAONAPRTALDH1A1CYP3A4 | |
| Benzoic Acid SCHEMBL226249 | 0.82 | TSHR (0.61) | TSHRDAONAPRTALDH1A1CYP3A4 | |
| Acrylic Acid Methyl Ester SCHEMBL27544299 | 0.82 | ALDH1A1 (0.45) | TSHRALDH1A1CYP3A4THRBTDP1 | |
| Terephthalic Acid SCHEMBL27570892 | 0.81 | CA1 (0.52) | TSHRALDH1A1SRD5A2PRSS1RXRA |
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-105794331-A | Electronic element and sheet material | 东洋油墨SC控股株式会社 | 2016-07-20 | — | — | CN | disclosed |