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 | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.56 |
| ▸ | CES1 | P23141 | 3/20 | 0.56 |
| ▸ | PPARG | P37231 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | AKT1 | P31749 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | NAAA | Q02083 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | PPARA | Q07869 | 1/20 | 0.48 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.48 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.47 |
| ▸ | DAO | P14920 | 1/20 | 0.47 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL28851805 | 0.93 | LMNA (0.55) | CES2CES1LMNAKDM4EKMT2A | |
| Isophthalic Acid SCHEMBL28115321 | 0.90 | NR1H4 (0.50) | CES2CES1PPARGKMT2ATSHR | |
| Methyl Benzoate SCHEMBL8366888 | 0.87 | TSHR (0.59) | CES2CES1PPARGLMNAKDM4E | |
| Acetophenone SCHEMBL27858856 | 0.87 | CES2 (0.55) | CES2CES1PPARGLMNAMEN1 | |
| Biphenyl SCHEMBL27297957 | 0.86 | POLB (0.55) | CES2CES1PPARGLMNAKDM4E | |
| Benzene SCHEMBL27528100 | 0.86 | TSHR (0.61) | PPARGLMNAMEN1KMT2ATSHR | |
| Benzoic Acid SCHEMBL6130381 | 0.85 | CES2 (0.54) | CES2CES1KDM4EMEN1RECQL | |
| Methyl Tetradecanoate SCHEMBL28796204 | 0.85 | PPARG (0.56) | CES2CES1PPARGLMNAMEN1 | |
| Biphenyl SCHEMBL28796162 | 0.85 | PPARG (0.56) | CES2CES1PPARGLMNAMEN1 | |
| Phenol SCHEMBL9078642 | 0.85 | PPARG (0.52) | CES2CES1PPARGLMNAKDM4E |
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-4292142-A | MIXTURE OF PHTHALIC ANHYDRIDE AND MALEIC ANHYDRIDE | INTERNATIONAL SYNTHETIC RUBBER CO., LTD. (GB) | 1981-09-29 | — | — | US | disclosed |