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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 5/20 | 0.40 |
| ▸ | CES2 | O00748 | 3/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.38 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RARB | P10826 | 2/20 | 0.38 |
| ▸ | RARG | P13631 | 1/20 | 0.38 |
| ▸ | CDC25A | P30304 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3698836 | 0.86 | ALDH1A1 (0.44) | DRD3TSHRCES1ALDH1A1ALDH2 | |
| Bromide SCHEMBL5143682 | 0.85 | ALDH1A1 (0.42) | DRD3TSHRCES1ALDH1A1ALDH2 | |
| Bromide SCHEMBL31186685 | 0.85 | ALDH1A1 (0.42) | DRD3TSHRCES1ALDH1A1ALDH2 | |
| SCHEMBL21049602 | 0.81 | ALDH1A1 (0.50) | CES1ALDH1A1ALDH2ALDH3A1CDC25A | |
| SCHEMBL30464021 | 0.81 | ALDH1A1 (0.50) | CES1ALDH1A1ALDH2ALDH3A1CDC25A | |
| SCHEMBL28365588 | 0.80 | ALDH1A1 (0.43) | DRD3TSHRCES1ALDH1A1ALDH2 | |
| SCHEMBL21049609 | 0.80 | CDC25A (0.51) | CES1ALDH1A1ALDH2ALDH3A1CDC25A | |
| SCHEMBL21049617 | 0.80 | CDC25A (0.51) | CES1ALDH1A1ALDH2ALDH3A1CDC25A | |
| SCHEMBL21049543 | 0.80 | CDC25A (0.51) | CES1ALDH1A1ALDH2ALDH3A1CDC25A | |
| SCHEMBL21049557 | 0.80 | CDC25A (0.51) | CES1ALDH1A1ALDH2ALDH3A1CDC25A |
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-113025423-A | Method for removing fatty acid by ionic liquid | 丰益(上海)生物技术研发中心有限公司 | 2021-06-25 | — | — | CN | disclosed |