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 | 0.82 |
| ▸ | DAO | P14920 | 1/20 | 0.82 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.82 |
| ▸ | CES1 | P23141 | 5/20 | 0.67 |
| ▸ | CES2 | O00748 | 4/20 | 0.67 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.67 |
| ▸ | TP53 | P04637 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.52 |
| ▸ | KMO | O15229 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
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 SCHEMBL10457491 | 0.97 | TSHR (0.88) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL9664197 | 0.97 | TSHR (0.88) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL27642004 | 0.97 | TSHR (0.88) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL31657264 | 0.97 | TSHR (0.88) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL28117481 | 0.97 | TSHR (0.88) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL9797257 | 0.94 | TSHR (0.93) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL476856 | 0.94 | TSHR (0.93) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL11154585 | 0.91 | TSHR (0.88) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL5731290 | 0.91 | TSHR (0.88) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL28753400 | 0.91 | TSHR (0.88) | TSHRDAONAPRTCES1CES2 |
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-110433818-B | Nickel molybdate-carbon composite nanosphere, preparation method and application of nickel molybdate-carbon composite nanosphere as electrolytic water hydrogen evolution catalyst | 陕西科技大学 | 2022-02-25 | — | — | CN | disclosed |
| CN-110433818-A | A kind of nickel molybdate carbon composite nano ball, preparation method and its application as electrolysis water liberation of hydrogen catalyst | UNIV SHAANXI SCIENCE & TECH | 2019-11-12 | — | — | CN | disclosed |