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 | 4/20 | 0.66 |
| ▸ | RAB9A | P51151 | 3/20 | 0.66 |
| ▸ | NPC1 | O15118 | 2/20 | 0.66 |
| ▸ | GAA | P10253 | 1/20 | 0.66 |
| ▸ | MEN1 | O00255 | 3/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.65 |
| ▸ | CA12 | O43570 | 1/20 | 0.63 |
| ▸ | CA1 | P00915 | 1/20 | 0.63 |
| ▸ | CA2 | P00918 | 1/20 | 0.63 |
| ▸ | ESR1 | P03372 | 1/20 | 0.63 |
| ▸ | CA7 | P43166 | 1/20 | 0.63 |
| ▸ | CA9 | Q16790 | 1/20 | 0.63 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.63 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.63 |
| ▸ | LMNA | P02545 | 2/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | MAOA | P21397 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.57 |
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 | |
|---|---|---|---|---|
| Terephthalic Acid SCHEMBL29135372 | 1.00 | SMN1; SMN2 (0.66) | SMN1; SMN2RAB9ANPC1GAAMEN1 | |
| Ethyl Benzoate SCHEMBL18954181 | 0.98 | LMNA (0.63) | SMN1; SMN2RAB9ANPC1GAAMEN1 | |
| Ethyl Benzoate SCHEMBL28441479 | 0.98 | LMNA (0.63) | SMN1; SMN2RAB9ANPC1GAAMEN1 | |
| Ethyl Benzoate SCHEMBL28226478 | 0.98 | LMNA (0.63) | SMN1; SMN2RAB9ANPC1GAAMEN1 | |
| Ethyl Benzoate SCHEMBL28791225 | 0.96 | LMNA (0.61) | SMN1; SMN2RAB9ANPC1GAAMEN1 | |
| Benzene SCHEMBL28877605 | 0.96 | CA1 (0.68) | SMN1; SMN2RAB9ANPC1GAAMEN1 | |
| Ethyl Benzoate SCHEMBL28913439 | 0.94 | SMN1; SMN2 (0.59) | SMN1; SMN2RAB9ANPC1GAAMEN1 | |
| SCHEMBL27063 | 0.94 | CA1 (0.70) | SMN1; SMN2RAB9ANPC1GAAMEN1 | |
| Terephthalic Acid SCHEMBL28214246 | 0.94 | CA1 (0.70) | SMN1; SMN2RAB9ANPC1GAAMEN1 | |
| Terephthalic Acid SCHEMBL28214245 | 0.94 | CA1 (0.70) | SMN1; SMN2RAB9ANPC1GAAMEN1 |
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-115197138-B | Preparation method of isoquinoline derivative | 广东工业大学 | 2023-12-15 | — | — | CN | disclosed |