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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.43 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.42 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Acrylic Acid SCHEMBL211815 | 0.92 | ESR2 (0.56) | ESR2PTPN5GRIA2GRIA4FFAR1 | |
| Benzoic Acid SCHEMBL8919114 | 0.91 | ESR2 (0.58) | ESR2PTPN5GRIA2GRIA4DAO | |
| SCHEMBL2039846 | 0.84 | ESR2 (0.62) | ESR2PTPN5GRIA2GRIA4EGLN1 | |
| Azobenzene SCHEMBL508709 | 0.84 | ESR2 (0.47) | ESR2PTPN5GRIA2GRIA4FFAR1 | |
| Benzoic Acid SCHEMBL2897121 | 0.84 | GRIA2 (0.43) | ESR2GRIA2GRIA4EGLN1FFAR1 | |
| SCHEMBL17799577 | 0.79 | KMO (0.54) | ESR2FFAR1 | |
| Acrylic Acid SCHEMBL22345854 | 0.79 | CYP3A4 (0.41) | ESR2 | |
| P-Anisic Acid SCHEMBL2903597 | 0.77 | CA1 (0.56) | FFAR1AKR1B1CES2CES1 | |
| Ethylene SCHEMBL28042734 | 0.77 | ESR2 (0.64) | ESR2PTPN5GRIA2GRIA4TSHR | |
| Acrylic Acid SCHEMBL508710 | 0.77 | ESR2 (0.40) | ESR2PTPN5GRIA2GRIA4FFAR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1597337-B1 | CHOLESTERIC LIQUID CRYSTAL DRYING PROCESS AND SOLVENT | 3M INNOVATIVE PROPERTIES CO (US) | 2007-04-18 | — | — | EP | disclosed |
| US-6913708-B2 | Cholesteric liquid crystal drying process and solvent | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2005-07-05 | — | — | US | disclosed |