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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.67 |
| ▸ | CA12 | O43570 | 2/20 | 0.62 |
| ▸ | CA1 | P00915 | 2/20 | 0.62 |
| ▸ | CA2 | P00918 | 2/20 | 0.62 |
| ▸ | CA6 | P23280 | 2/20 | 0.62 |
| ▸ | CA9 | Q16790 | 2/20 | 0.62 |
| ▸ | CA3 | P07451 | 1/20 | 0.62 |
| ▸ | TYR | P14679 | 1/20 | 0.62 |
| ▸ | DRD1 | P21728 | 1/20 | 0.62 |
| ▸ | CA4 | P22748 | 1/20 | 0.62 |
| ▸ | CA5A | P35218 | 1/20 | 0.62 |
| ▸ | CA7 | P43166 | 1/20 | 0.62 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.62 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.62 |
| ▸ | DAO | P14920 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.61 |
| ▸ | SRD5A2 | P31213 | 4/20 | 0.59 |
| ▸ | CES2 | O00748 | 3/20 | 0.59 |
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 | |
|---|---|---|---|---|
| Paraben SCHEMBL388088 | 0.91 | CA12 (0.70) | SMN1; SMN2ALDH1A1CA12CA1CA2 | |
| 4-Methylbenzoic Acid SCHEMBL10446910 | 0.91 | ALDH1A1 (0.81) | SMN1; SMN2ALDH1A1CA12CA1CA2 | |
| Benzoic Acid SCHEMBL3897333 | 0.91 | ALDH1A1 (0.80) | SMN1; SMN2ALDH1A1DAOTSHRNAPRT | |
| 4-Methylbenzoic Acid SCHEMBL14723409 | 0.89 | ALDH1A1 (0.85) | SMN1; SMN2ALDH1A1DAOTSHRNAPRT | |
| 4-Methylbenzoic Acid SCHEMBL7940172 | 0.89 | ALDH1A1 (0.85) | SMN1; SMN2ALDH1A1DAOTSHRNAPRT | |
| Benzoic Acid SCHEMBL1401757 | 0.89 | CA12 (0.79) | ALDH1A1CA12CA1CA2CA6 | |
| Benzoic Acid SCHEMBL6368275 | 0.89 | CA12 (0.79) | ALDH1A1CA12CA1CA2CA6 | |
| Benzoic Acid SCHEMBL5706549 | 0.86 | TSHR (0.74) | SMN1; SMN2ALDH1A1DAOTSHRNAPRT | |
| Paraben SCHEMBL16872734 | 0.86 | CA12 (0.84) | CA12CA1CA2CA6CA9 | |
| Benzoic Acid SCHEMBL10436416 | 0.86 | TSHR (0.74) | SMN1; SMN2ALDH1A1DAOTSHRNAPRT |
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-113121619-B | Method for catalyzing phenol hydroxyl glycosylation by using organic thiourea | 江西师范大学 | 2023-06-09 | — | — | CN | disclosed |