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 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 5/20 | 0.41 |
| ▸ | CES1 | P23141 | 5/20 | 0.41 |
| ▸ | NAAA | Q02083 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.34 |
| ▸ | RARB | P10826 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TAS2R10 | Q9NYW0 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.33 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.33 |
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 SCHEMBL7938393 | 0.83 | CA2 (0.41) | CA2CA4CES2CES1NAAA | |
| Pivalate SCHEMBL7596962 | 0.82 | GPR84 (0.31) | — | |
| Benzoic Acid SCHEMBL7049468 | 0.79 | CA2 (0.46) | CA2CA4CES2CES1MEN1 | |
| Fluoride Ion SCHEMBL1539676 | 0.79 | — | — | |
| Iodide SCHEMBL1539756 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL1539706 | 0.79 | — | — | |
| Butylbenzyl SCHEMBL27516070 | 0.73 | CA2 (0.59) | CA2CA4CES2CES1TRPV1 | |
| Benzoic Acid SCHEMBL17375794 | 0.70 | CA2 (0.57) | CA2CA4CES2CES1NAAA | |
| Benzoic Acid SCHEMBL7731878 | 0.70 | CA2 (0.57) | CA2CA4CES2CES1NAAA | |
| Benzoic Acid SCHEMBL2569611 | 0.70 | CA2 (0.57) | CA2CA4CES2CES1NAAA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1091968-B1 | PRODUCTION OF HALF-SANDWICH SUBSTITUTED CATALYST PRECURSORS | UNIVATION TECH LLC (US) | 2002-01-09 | — | — | EP | disclosed |
| EP-1091968-A1 | PRODUCTION OF HALF-SANDWICH SUBSTITUTED CATALYST PRECURSORS | Univation Technologies LLC (US) | 2001-04-18 | — | — | EP | disclosed |
| US-6069109-A | Process for the production of half-sandwich transition metal based catalyst precursors | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 2000-05-30 | — | — | US | disclosed |
| WO-2000001709-A1 | PRODUCTION OF HALF-SANDWICH SUBSTITUTED CATALYST PRECURSORS | UNIVATION TECHNOLOGIES LLC (US) | 2000-01-13 | — | — | WO | disclosed |