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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.54 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.45 |
| ▸ | BRD4 | O60885 | 11/20 | 0.42 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.33 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.33 |
| ▸ | PPARD | Q03181 | 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 | |
|---|---|---|---|---|
| SCHEMBL4199398 | 0.89 | CCR1 (0.46) | CCR1ABCB11BRD4PPARD | |
| SCHEMBL4199387 | 0.88 | CCR1 (0.45) | CCR1ABCB11BRD4KDM4CSLC6A2 | |
| SCHEMBL5583485 | 0.87 | ABCB11 (0.58) | CCR1ABCB11BRD4SLC6A2SLC6A4 | |
| SCHEMBL7263208 | 0.87 | ABCB11 (0.58) | CCR1ABCB11BRD4SLC6A2SLC6A4 | |
| SCHEMBL5583417 | 0.80 | ABCB11 (0.48) | CCR1ABCB11BRD4KDM4CSLC6A2 | |
| SCHEMBL5583430 | 0.80 | ABCB11 (0.48) | CCR1ABCB11BRD4SLC6A2SLC6A4 | |
| SCHEMBL5583514 | 0.79 | ABCB11 (0.48) | CCR1ABCB11BRD4SLC6A2SLC6A4 | |
| SCHEMBL5583496 | 0.79 | ABCB11 (0.46) | CCR1ABCB11BRD4SLC6A2SLC6A4 | |
| Azd4818 SCHEMBL2061809 | 0.78 | CCR1 (0.88) | CCR1ABCB11 | |
| Azd4818 SCHEMBL4377890 | 0.70 | CCR1 (1.00) | CCR1ABCB11BRD4 |
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-2027105-A2 | NOVEL PROCESS FOR PREPARING INTERMEDIATES OF CCR ANTAGONISTS | AstraZeneca AB (SE) | 2009-02-25 | — | — | EP | disclosed |
| WO-2007129960-A2 | NOVEL PROCESSES FOR PREPARING INTERMEDIATES OF CCR ANTAGONISTS | ASTRAZENECA AB (SE) | 2007-11-15 | — | — | WO | disclosed |