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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 SCHEMBL7764284 | 0.81 | CA2 (0.39) | CA2CA4MCL1KDM4EHTT | |
| Benzoic Acid SCHEMBL7765692 | 0.78 | CA2 (0.50) | CA2CA4MCL1KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL7919305 | 0.71 | LMNA (0.36) | MCL1KDM4EALDH1A1HTT | |
| Benzoic Acid SCHEMBL11789341 | 0.64 | CA2 (0.94) | CA2CA4KDM4EALDH1A1L3MBTL1 | |
| Benzoic Acid SCHEMBL31103498 | 0.62 | CA2 (0.80) | CA2CA4KDM4EALDH1A1L3MBTL1 | |
| Benzoic Acid SCHEMBL29624 | 0.62 | CA2 (0.89) | CA2CA4KDM4EALDH1A1L3MBTL1 | |
| Benzoic Acid SCHEMBL457494 | 0.62 | CA2 (0.89) | CA2CA4KDM4EALDH1A1L3MBTL1 | |
| Benzoic Acid SCHEMBL944537 | 0.62 | CA2 (0.89) | CA2CA4KDM4EALDH1A1L3MBTL1 | |
| Benzoic Acid SCHEMBL20570059 | 0.62 | CA2 (0.89) | CA2CA4KDM4EALDH1A1L3MBTL1 | |
| Benzoic Acid SCHEMBL20570232 | 0.62 | CA2 (0.89) | CA2CA4KDM4EALDH1A1L3MBTL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1102795-A1 | UNBRIDGED MONOCYCLOPENTADIENYL METAL COMPLEX CATALYST HAVING IMPROVED TOLERANCE OF MODIFIED METHYLALUMINOXANE | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 2001-05-30 | — | — | EP | disclosed |
| EP-0989139-A1 | Unbridged monocyclopentadienyl metal complex catalyst for olefin polymerization by reacting with particulate solids with functional groups | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 2000-03-29 | — | — | EP | disclosed |
| WO-2000006614-A1 | UNBRIDGED MONOCYCLOPENTADIENYL METAL COMPLEX CATALYST HAVING IMPROVED TOLERANCE OF MODIFIED METHYLALUMINOXANE | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 2000-02-10 | — | — | WO | disclosed |