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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.34 |
| ▸ | DHODH | Q02127 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL30150710 | 0.84 | CHRM1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL31039631 | 0.84 | CHRM1 (0.35) | TSHR | |
| Hydrochloric Acid SCHEMBL6250497 | 0.84 | CHRM1 (0.35) | TSHR | |
| Benzoic Acid SCHEMBL7765690 | 0.81 | CA2 (0.40) | CA2CA4HTTL3MBTL1MCL1 | |
| SCHEMBL8959950 | 0.77 | CHRM2 (0.32) | — | |
| SCHEMBL7764738 | 0.75 | CHRM2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL8909535 | 0.74 | CHRM2 (0.32) | — | |
| Benzoic Acid SCHEMBL7764291 | 0.73 | CA2 (0.42) | CA2CA4HTTL3MBTL1MCL1 | |
| Benzoic Acid SCHEMBL7765692 | 0.71 | CA2 (0.50) | CA2CA4L3MBTL1TSHRMCL1 | |
| SCHEMBL6932058 | 0.70 | CHRM1 (0.39) | TSHR |
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 |