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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 4/20 | 0.46 |
| ▸ | BCL2 | P10415 | 3/20 | 0.46 |
| ▸ | LDHA | P00338 | 3/20 | 0.41 |
| ▸ | LDHB | P07195 | 3/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28179050 | 0.89 | LDHA (0.47) | MCL1BCL2LDHALDHBTHRB | |
| SCHEMBL22629 | 0.88 | LDHA (0.49) | MCL1LDHALDHB | |
| SCHEMBL27639352 | 0.88 | LDHA (0.49) | MCL1LDHALDHB | |
| Gallic Acid SCHEMBL11234286 | 0.87 | KDM4E (0.53) | MCL1BCL2LDHALDHBKDM4E | |
| SCHEMBL27803040 | 0.86 | LDHA (0.47) | MCL1LDHALDHB | |
| Phosphoric Acid SCHEMBL30902652 | 0.81 | LDHA (0.43) | MCL1BCL2LDHALDHB | |
| Acetic Acid SCHEMBL28237092 | 0.81 | LDHA (0.43) | MCL1LDHALDHB | |
| SCHEMBL45169 | 0.79 | KAT8 (0.46) | MCL1BCL2LDHALDHBKDM4E | |
| SCHEMBL27729778 | 0.77 | KAT8 (0.53) | — | |
| SCHEMBL27621974 | 0.77 | BCL2 (0.49) | MCL1BCL2KDM4ECYP2C8CYP2C9 |
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-106232114-A | The prevention of peripheral neuropathy or improvement compositions | 味之素株式会社 | 2016-12-14 | — | — | CN | disclosed |