Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCKBR | P32239 | 15/20 | 0.66 |
| ▸ | CCKAR | P32238 | 10/20 | 0.66 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.64 |
| ▸ | NOTCH1 | P46531 | 1/20 | 0.56 |
| ▸ | RBPJ | Q06330 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL9866460 | 1.00 | CCKBR (0.66) | CCKBRCCKARKCNH2NOTCH1RBPJ | |
| SCHEMBL9866450 | 1.00 | CCKBR (0.66) | CCKBRCCKARKCNH2NOTCH1RBPJ | |
| SCHEMBL2521035 | 0.93 | CCKBR (0.64) | CCKBRCCKARKCNH2NOTCH1 | |
| SCHEMBL8741738 | 0.88 | CCKBR (0.63) | CCKBRCCKARNOTCH1RBPJ | |
| SCHEMBL642034 | 0.88 | CCKBR (0.67) | CCKBRCCKAR | |
| SCHEMBL643257 | 0.85 | CCKBR (0.64) | CCKBRCCKARNOTCH1RBPJ | |
| SCHEMBL643277 | 0.83 | CCKBR (0.68) | CCKBRCCKAR | |
| SCHEMBL20867074 | 0.82 | CCKBR (0.72) | CCKBRCCKAR | |
| SCHEMBL642974 | 0.82 | CCKBR (0.72) | CCKBRCCKAR | |
| SCHEMBL29766969 | 0.82 | CCKBR (0.72) | CCKBRCCKAR |
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-5004741-A | Cholecystokinin(CCK); Treating Disorders Of The Gastrointestinal Tract, Central Nervous System And Of The Appetite Of Animals | MERCK & CO., INC. (US) | 1991-04-02 | — | — | US | disclosed |
| US-4820834-A | Benzodiazepine analogs | MERCK & CO., INC. (US) | 1989-04-11 | — | — | US | disclosed |
| EP-0284256-A1 | Benzodiazepine analogs | MERCK & CO. INC. (US) | 1988-09-28 | — | — | EP | disclosed |