Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MME | P08473 | 2/20 | 0.36 |
| ▸ | CASR | P41180 | 1/20 | 0.36 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.35 |
| ▸ | ACE | P12821 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7666814 | 0.86 | NPY1R (0.37) | CYP3A4MAPK1 | |
| SCHEMBL7667767 | 0.82 | EPHX2 (0.44) | — | |
| SCHEMBL6897076 | 0.81 | CCKBR (0.51) | — | |
| SCHEMBL7665154 | 0.81 | CCKBR (0.35) | CYP3A4MAPK1 | |
| SCHEMBL6897079 | 0.81 | CCKBR (0.51) | — | |
| SCHEMBL7667464 | 0.80 | CYP3A4 (0.34) | CYP3A4MAPK1 | |
| SCHEMBL7670952 | 0.78 | ALDH1A1 (0.38) | — | |
| SCHEMBL7664675 | 0.77 | NPY5R (0.32) | — | |
| SCHEMBL7662981 | 0.72 | EPHX2 (0.39) | MAPK1 | |
| SCHEMBL9698370 | 0.71 | CCKBR (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993003721-A1 | CHOLECYSTOKININ ANTAGONISTS USEFUL FOR TREATING DEPRESSION | WARNER-LAMBERT COMPANY (US) | 1993-03-04 | — | — | WO | claimed |
| 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 |