Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCKBR | P32239 | 3/20 | 0.39 |
| ▸ | CCKAR | P32238 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 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 | |
|---|---|---|---|---|
| SCHEMBL8550576 | 0.81 | HDAC3 (0.39) | CCKBRCCKARHDAC3HDAC1HDAC6 | |
| SCHEMBL8541650 | 0.80 | HDAC3 (0.36) | CCKBRCCKARHDAC3HDAC1HDAC6 | |
| SCHEMBL8545456 | 0.79 | SENP1 (0.42) | CCKBRCCKARHDAC3HDAC1HDAC6 | |
| SCHEMBL8606324 | 0.78 | CCKBR (0.50) | CCKBRCCKAR | |
| SCHEMBL8544165 | 0.78 | CCKBR (0.50) | CCKBRCCKAR | |
| SCHEMBL8548821 | 0.71 | CYP1A2 (0.48) | CCKBRCCKARHDAC3HDAC1HDAC6 | |
| SCHEMBL8606948 | 0.69 | SENP1 (0.57) | CCKBRCCKAR | |
| SCHEMBL8545459 | 0.69 | SENP1 (0.57) | CCKBRCCKAR | |
| SCHEMBL1387729 | 0.67 | CCKAR (0.76) | CCKBRCCKAR | |
| SCHEMBL1387730 | 0.67 | CCKAR (0.76) | 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 |
|---|---|---|---|---|---|---|---|
| EP-0715624-B1 | PROCESS FOR THE PREPARATION OF BENZODIAZEPINE COMPOUNDS USEFUL AS ANTAGONISTS OF CCK OR OF GASTRINE | YAMANOUCHI PHARMA CO LTD (JP) | 1998-04-08 | — | — | EP | disclosed |
| US-5728829-A | MULTISTAGE REACTION OF N-PROTECTED BENZOTRIAZOLYL GLYCINE DERIVATIVE WITH AMINOKETONE, THEN REACTION WITH AMMONIA AND ACID CATALYZED CYCLIZATION | FERRING-RESEARCH LIMITED (GB) | 1998-03-17 | — | — | US | disclosed |
| WO-1995006040-A1 | BENZODIAZEPINE COMPOUNDS USEFUL AS ANTAGONISTS OF CCK OR OF GASTRINE | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1995-03-02 | — | — | WO | disclosed |