Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCKBR | P32239 | 16/20 | 0.49 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 2/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 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 | |
|---|---|---|---|---|
| SCHEMBL8921108 | 1.00 | CCKBR (0.49) | CCKBRKCNQ2DRD4DRD2DRD3 | |
| SCHEMBL8922801 | 0.94 | CCKBR (0.46) | CCKBRDRD4DRD2DRD3 | |
| SCHEMBL8922812 | 0.94 | CCKBR (0.46) | CCKBRDRD4DRD2DRD3 | |
| SCHEMBL8922626 | 0.94 | CCKBR (0.49) | CCKBRKCNQ2DRD4DRD2DRD3 | |
| SCHEMBL8922615 | 0.94 | CCKBR (0.49) | CCKBRKCNQ2DRD4DRD2DRD3 | |
| SCHEMBL8921471 | 0.94 | CCKBR (0.45) | CCKBRDRD4DRD2DRD3 | |
| SCHEMBL8920279 | 0.94 | CCKBR (0.45) | CCKBRDRD4DRD2DRD3 | |
| SCHEMBL8920274 | 0.94 | CCKBR (0.45) | CCKBRDRD4DRD2DRD3 | |
| SCHEMBL8920317 | 0.92 | CCKBR (0.42) | CCKBRKCNQ2RIPK1 | |
| SCHEMBL8920320 | 0.92 | CCKBR (0.42) | CCKBRKCNQ2RIPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5643904-A | Substituted hexahdryoazepinones and tetrahydrobenzazepinones | PFIZER INC. (US) | 1997-07-01 | — | — | US | disclosed |
| US-5484917-A | FOR TREATMENT AND PREVENTION OF GASTROINTESTINAL DISORDERS, PAIN AND ANXIETY | PFIZER INC. (US) | 1996-01-16 | — | — | US | disclosed |
| WO-1993015059-A1 | 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS | PFIZER INC. (US) | 1993-08-05 | — | — | WO | disclosed |