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 | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.45 |
| ▸ | CTSG | P08311 | 3/20 | 0.45 |
| ▸ | CTRB1 | P17538 | 3/20 | 0.45 |
| ▸ | CMA1 | P23946 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | XBP1 | P17861 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL27678034 | 0.84 | CA2 (0.51) | CA2CA1PRSS1CTSGCTRB1 | |
| SCHEMBL4631638 | 0.83 | CA2 (0.66) | CA2CA1MAPK1ALDH1A1MEN1 | |
| Benzoic Acid SCHEMBL2217260 | 0.82 | MAPK1 (0.46) | CA2CA1PRSS1CTSGCTRB1 | |
| 2-Ethylhexanoic Acid SCHEMBL6130365 | 0.82 | CA2 (0.67) | CA2CA1PRSS1CTSGCTRB1 | |
| 2-Ethylhexanoic Acid SCHEMBL6130380 | 0.82 | CA2 (0.67) | CA2CA1PRSS1CTSGCTRB1 | |
| 2-Ethylhexanoic Acid SCHEMBL8892187 | 0.82 | CA2 (0.67) | CA2CA1PRSS1CTSGCTRB1 | |
| Naphthoic Acid SCHEMBL29787137 | 0.81 | NR4A1 (0.49) | CA2CA1MAPK1ALDH1A1MEN1 | |
| 2-Ethylhexanoic Acid SCHEMBL23754791 | 0.81 | CA2 (0.61) | CA2CA1PRSS1CTSGCTRB1 | |
| Biphenyl SCHEMBL19019812 | 0.80 | CA2 (0.53) | CA2CA1PRSS1CTSGCTRB1 | |
| Benzoic Acid SCHEMBL2536224 | 0.79 | CA2 (0.43) | CA2CA1PRSS1CTSGCTRB1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4384571-A1 | REGIOSELECTIVELY SUBSTITUTED CELLULOSE ESTER BASED NEGATIVE BIREFRINGENT COMPENSATION FILMS HAVING IMPROVED WAVELENGTH DISPERSION | Eastman Chemical Company (US) | 2024-06-19 | — | — | EP | disclosed |
| CN-117794994-A | Regioselectively substituted cellulose ester based negative birefringence compensation films with improved wavelength dispersion | 伊士曼化工公司 | 2024-03-29 | — | — | CN | disclosed |
| EP-4103983-B1 | REGIOSELECTIVELY SUBSTITUTED CELLULOSE ESTER BASED C+ COMPENSATION FILMS WITH IMPROVED WAVELENGTH DISPERSION | EASTMAN CHEM CO (US) | 2024-01-24 | — | — | EP | disclosed |
| CN-115087675-B | Regioselectively substituted cellulose ester based negative birefringence compensation films with improved wavelength dispersion | 伊士曼化工公司 | 2024-01-19 | — | — | CN | disclosed |
| US-20230138841-A1 | REGIOSELECTIVELY SUBSTITUTED CELLULOSE ESTER BASED C+ COMPENSATION FILMS WITH IMPROVED WAVELENGTH DISPERSION | EASTMAN CHEMICAL COMPANY (US) | 2023-05-04 | — | — | US | disclosed |
| US-20230074167-A1 | REGIOSELECTIVELY SUBSTITUTED CELLULOSE ESTER BASED NEGATIVE BIREFRINGENT COMPENSATION FILMS HAVING IMPROVED WAVELENGTH DISPERSION | EASTMAN CHEMICAL COMPANY (US) | 2023-03-09 | — | — | US | disclosed |
| WO-2023018604-A1 | REGIOSELECTIVELY SUBSTITUTED CELLULOSE ESTER BASED NEGATIVE BIREFRINGENT COMPENSATION FILMS HAVING IMPROVED WAVELENGTH DISPERSION | EASTMAN CHEMICAL COMPANY (US) | 2023-02-16 | — | — | WO | disclosed |
| EP-4103983-A1 | REGIOSELECTIVELY SUBSTITUTED CELLULOSE ESTER BASED C+ COMPENSATION FILMS WITH IMPROVED WAVELENGTH DISPERSION | Eastman Chemical Company (US) | 2022-12-21 | — | — | EP | disclosed |
| CN-115087675-A | Regioselectively substituted cellulose ester-based negative birefringence compensation films with improved wavelength dispersion | 伊士曼化工公司 | 2022-09-20 | — | — | CN | disclosed |
| CN-115087893-A | Regioselectively substituted cellulose ester based C + compensation films with improved wavelength dispersion | 伊士曼化工公司 | 2022-09-20 | — | — | CN | disclosed |
| WO-2021163121-A1 | REGIOSELECTIVELY SUBSTITUTED CELLULOSE ESTER BASED C+ COMPENSATION FILMS WITH IMPROVED WAVELENGTH DISPERSION | EASTMAN CHEMICAL COMPANY (US) | 2021-08-19 | — | — | WO | disclosed |