Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | CCKBR | P32239 | 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 | |
|---|---|---|---|---|
| SCHEMBL6497641 | 0.94 | PTGS2 (0.39) | PTGS2SIGMAR1SCN9ACNR2CCKBR | |
| SCHEMBL6490137 | 0.91 | PTGS2 (0.38) | PTGS2SIGMAR1SCN9AALDH1A1CNR2 | |
| SCHEMBL6500868 | 0.82 | PTGS2 (0.33) | PTGS2SCN9A | |
| SCHEMBL6489101 | 0.68 | CNR2 (0.31) | CNR2 | |
| SCHEMBL30088717 | 0.67 | SIGMAR1 (0.36) | PTGS2SIGMAR1ALDH1A1 | |
| SCHEMBL6487195 | 0.65 | SLC16A3 (0.38) | ALDH1A1CNR2 | |
| SCHEMBL6064596 | 0.65 | ALDH1A1 (0.37) | SCN9AALDH1A1CNR2CCKBR | |
| SCHEMBL6065524 | 0.64 | CNR2 (0.37) | SCN9AALDH1A1CNR2CCKBR | |
| SCHEMBL11451345 | 0.64 | RET (0.34) | PTGS2SIGMAR1ALDH1A1 | |
| SCHEMBL7984267 | 0.63 | CNR2 (0.36) | SIGMAR1CNR2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001090078-A1 | PYRAZOLE DERIVATIVES AND THEIR USE AS GASTRIN AND CHOLECYSTOKIN IN RECEPTOR LIGANDS | JAMES BLACK FOUNDATION LIMITED (GB) | 2001-11-29 | — | — | WO | disclosed |