Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CCKBR | P32239 | 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 | |
|---|---|---|---|---|
| SCHEMBL7660406 | 0.84 | CCKBR (0.41) | CCKBR | |
| SCHEMBL7666814 | 0.81 | NPY1R (0.37) | CYP3A4MAPK1CCKBR | |
| SCHEMBL7664606 | 0.80 | CYP3A4 (0.38) | CYP3A4MAPK1 | |
| SCHEMBL7665154 | 0.79 | CCKBR (0.35) | CYP3A4MAPK1CCKBR | |
| SCHEMBL6897079 | 0.79 | CCKBR (0.51) | CCKBR | |
| SCHEMBL6897076 | 0.79 | CCKBR (0.51) | CCKBR | |
| SCHEMBL7664675 | 0.74 | NPY5R (0.32) | CCKBR | |
| SCHEMBL7667387 | 0.64 | CCKBR (0.46) | CCKBR | |
| SCHEMBL8957506 | 0.63 | ITGB2 (0.46) | — | |
| SCHEMBL4339886 | 0.63 | MAPK1 (0.63) | CYP3A4MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6492531-B1 | THE INVENTION CONCERNS CHOLECYSTOKININ (CCK) ANTAGONISTS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS. ESPECIALLY USEFUL ARE CCK.SUB.B ANTAGONISTS SUCH AS CI-988. | WARNER-LAMBERT COMPANY | 2002-12-10 | — | — | US | disclosed |