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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.62 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.54 |
| ▸ | FAAH | O00519 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL2741682 | 0.86 | HRH3 (0.67) | CYP2D6CYP2C9HIF1AHRH3ALDH1A1 | |
| SCHEMBL2986364 | 0.86 | HRH3 (0.67) | CYP2D6CYP2C9HIF1AHRH3ALDH1A1 | |
| SCHEMBL27854081 | 0.86 | HRH3 (0.67) | CYP2D6CYP2C9HIF1AHRH3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL10374042 | 0.84 | HRH3 (0.64) | CYP2D6CYP2C9HIF1AHRH3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7654075 | 0.84 | HRH3 (0.64) | CYP2D6CYP2C9HIF1AHRH3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL228646 | 0.84 | HRH3 (0.64) | CYP2D6CYP2C9HIF1AHRH3ALDH1A1 | |
| SCHEMBL2787677 | 0.84 | HDAC1 (0.67) | CYP2D6CYP2C9HIF1AHRH3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL3870152 | 0.82 | HDAC1 (0.65) | CYP2D6CYP2C9HIF1AHRH3ALDH1A1 | |
| SCHEMBL6731656 | 0.82 | HRH3 (0.78) | CYP2D6HRH3ALDH1A1MCHR1 | |
| SCHEMBL1505875 | 0.82 | HRH3 (0.78) | CYP2D6HRH3ALDH1A1MCHR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5034401-A | Cardiovascular disorders or antiischemia agents | SYNTHELABO (FR) | 1991-07-23 | — | — | US | disclosed |