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 | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CFTR | P13569 | 1/20 | 0.34 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL727644 | 0.91 | CFTR (0.40) | GAAPKMTSHRCYP2C9CYP3A4 | |
| Cinnamic Acid SCHEMBL28983011 | 0.80 | HCAR2 (0.47) | PKMSRD5A2CYP2C9MAPK1MEN1 | |
| SCHEMBL28777828 | 0.76 | EDNRA (0.45) | MAPK1KMT2A | |
| SCHEMBL29017673 | 0.73 | EDNRB (0.43) | GAACYP2C9CYP3A4MEN1KMT2A | |
| SCHEMBL28523565 | 0.70 | KMT2A (0.44) | CYP2C9CYP3A4KMT2APDK2OPRD1 | |
| SCHEMBL7172154 | 0.66 | THRB (0.45) | GAAPKMCYP2C9CYP3A4CYP2C19 | |
| SCHEMBL11113199 | 0.65 | CFTR (0.42) | GAAPKMTSHRCYP3A4CFTR | |
| SCHEMBL21645761 | 0.65 | GAA (0.49) | GAAPKMDAOTSHRNAPRT | |
| Benzoic Acid SCHEMBL407365 | 0.63 | TSHR (1.00) | DAOTSHRNAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL976149 | 0.63 | TSHR (1.00) | DAOTSHRNAPRTCES2CES1 |
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-115787325-A | Polyester low-temperature dyeing accelerant and preparation method thereof | 太仓宝霓实业有限公司 | 2023-03-14 | — | — | CN | claimed |
| CN-115787325-A | Polyester low-temperature dyeing accelerant and preparation method thereof | 太仓宝霓实业有限公司 | 2023-03-14 | — | — | CN | disclosed |