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 | 4/20 | 0.58 |
| ▸ | DAO | P14920 | 1/20 | 0.58 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.58 |
| ▸ | AKT1 | P31749 | 1/20 | 0.54 |
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.46 |
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 SCHEMBL3718190 | 0.96 | TSHR (0.64) | TSHRDAONAPRTAKT1CES2 | |
| Benzoic Acid SCHEMBL26696911 | 0.96 | TSHR (0.64) | TSHRDAONAPRTAKT1CES2 | |
| Benzoic Acid SCHEMBL28060769 | 0.94 | TSHR (0.61) | TSHRDAONAPRTAKT1CES2 | |
| Benzoic Acid SCHEMBL28159751 | 0.90 | TSHR (0.56) | TSHRDAONAPRTAKT1CES2 | |
| Acrylamide SCHEMBL3491747 | 0.84 | EGFR (0.55) | TSHRDAONAPRTCES2CES1 | |
| Acrylamide SCHEMBL28673779 | 0.83 | AKT1 (0.58) | TSHRDAONAPRTAKT1CES2 | |
| Benzophenone SCHEMBL1884581 | 0.83 | ALDH1A1 (0.64) | TSHRDAONAPRTAKT1SRD5A2 | |
| Benzoic Acid SCHEMBL30978335 | 0.82 | TSHR (0.70) | TSHRDAONAPRTAKT1CES2 | |
| Benzoic Acid SCHEMBL2099239 | 0.82 | TSHR (0.70) | TSHRDAONAPRTAKT1CES2 | |
| Benzoic Acid SCHEMBL4905361 | 0.82 | TSHR (0.88) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105504161-B | A kind of Anionic High-molecular Flocculant and preparation method thereof | 陕西科技大学 | 2017-06-20 | — | — | CN | disclosed |
| CN-105504161-A | Anionic high-polymer flocculant and preparation method thereof | UNIV SHAANXI SCIENCE & TECH | 2016-04-20 | — | — | CN | disclosed |