Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCKBR | P32239 | 14/20 | 0.41 |
| ▸ | CCKAR | P32238 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MYC | P01106 | 1/20 | 0.33 |
| ▸ | LDLR | P01130 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9303570 | 0.91 | CCKBR (0.45) | CCKBRALDH1A1ATAD2 | |
| SCHEMBL9301587 | 0.81 | CCKBR (0.57) | CCKBRCCKARBACE1BACE2NPC1 | |
| SCHEMBL9701161 | 0.79 | CCKBR (0.55) | CCKBRCCKARBACE1BACE2 | |
| SCHEMBL9702299 | 0.79 | CCKBR (0.55) | CCKBRCCKARBACE1BACE2 | |
| SCHEMBL9301937 | 0.79 | CCKBR (0.55) | CCKBRCCKARBACE1BACE2 | |
| SCHEMBL9303126 | 0.79 | CCKBR (0.55) | CCKBRCCKARBACE1BACE2 | |
| SCHEMBL9545602 | 0.78 | CCKBR (0.42) | CCKBRAPPCTSDBACE1BACE2 | |
| SCHEMBL9302356 | 0.77 | CCKBR (0.48) | CCKBRCCKARBACE1BACE2NPC1 | |
| SCHEMBL9545574 | 0.77 | CCKBR (0.43) | CCKBRAPPCTSDBACE1BACE2 | |
| SCHEMBL9545585 | 0.74 | CCKBR (0.40) | CCKBRBACE1BACE2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0514133-A1 | Benzodiazepine derivatives, compositions containing them and their use in therapy | MERCK SHARP & DOHME LTD. (GB) | 1992-11-19 | — | — | EP | claimed |
| US-5360802-A | Antagonists of cholecystokinin and gastrin | MERCK SHARPE & DOHME LTD. | 1994-11-01 | — | — | US | disclosed |
| EP-0514133-A1 | Benzodiazepine derivatives, compositions containing them and their use in therapy | MERCK SHARP & DOHME LTD. (GB) | 1992-11-19 | — | — | EP | disclosed |