Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 3/20 | 0.36 |
| ▸ | CNR1 | P21554 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6490137 | 0.69 | PTGS2 (0.38) | CNR2CNR1ESR1SIGMAR1 | |
| SCHEMBL7967384 | 0.68 | ALDH1A1 (0.36) | CNR2SIGMAR1 | |
| SCHEMBL6525498 | 0.66 | KDM4E (0.46) | ESR1 | |
| SCHEMBL7984023 | 0.63 | PTGS2 (0.36) | CNR2SIGMAR1 | |
| SCHEMBL2317826 | 0.62 | HCAR3 (0.43) | CNR2CNR1ESR1SMN1; SMN2 | |
| SCHEMBL24095464 | 0.61 | HSP90AA1 (0.35) | CNR2 | |
| SCHEMBL2323117 | 0.60 | HCAR3 (0.42) | CNR2CNR1ESR1SMN1; SMN2 | |
| SCHEMBL21855968 | 0.58 | MEN1 (0.36) | — | |
| SCHEMBL17356152 | 0.58 | ALDH1A1 (0.42) | ESR1SIGMAR1 | |
| SCHEMBL21855973 | 0.58 | HTR2C (0.33) | — |
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 |