Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.75 |
| ▸ | CCKBR | P32239 | 12/20 | 0.64 |
| ▸ | PSEN1 | P49768 | 4/20 | 0.64 |
| ▸ | PSEN2 | P49810 | 4/20 | 0.64 |
| ▸ | APH1B | Q8WW43 | 4/20 | 0.64 |
| ▸ | NCSTN | Q92542 | 4/20 | 0.64 |
| ▸ | APH1A | Q96BI3 | 4/20 | 0.64 |
| ▸ | PSENEN | Q9NZ42 | 4/20 | 0.64 |
| ▸ | CCKAR | P32238 | 3/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL9718397 | 0.86 | CCKBR (0.68) | SCN9ACCKBR | |
| SCHEMBL5803563 | 0.84 | PSEN1 (0.69) | CCKBRPSEN1PSEN2APH1BNCSTN | |
| SCHEMBL2927644 | 0.82 | CCKBR (0.78) | CCKBRCCKAR | |
| SCHEMBL7207460 | 0.82 | CCKBR (0.78) | CCKBRCCKAR | |
| SCHEMBL5803561 | 0.82 | PSEN1 (0.75) | CCKBRPSEN1PSEN2APH1BNCSTN | |
| SCHEMBL7426585 | 0.81 | CCKBR (0.69) | CCKBR | |
| SCHEMBL7213169 | 0.79 | CCKBR (0.85) | CCKBRCCKAR | |
| SCHEMBL8609474 | 0.79 | CCKBR (0.74) | CCKBRCCKAR | |
| SCHEMBL9864930 | 0.78 | CCKBR (1.00) | SCN9ACCKBRPSEN1PSEN2APH1B | |
| SCHEMBL8617432 | 0.78 | HDAC3 (0.75) | CCKBRPSEN1PSEN2APH1BNCSTN |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0421802-A2 | 3-substituted-1,4-benzodiazepines useful as oxytocin antagonists | MERCK & CO. INC. (US) | 1991-04-10 | — | — | EP | disclosed |