Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCKBR | P32239 | 17/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | NOTCH1 | P46531 | 1/20 | 0.36 |
| ▸ | NOTCH3 | Q9UM47 | 1/20 | 0.36 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8863378 | 0.79 | CCKBR (0.55) | CCKBRKCNH2NOTCH1NOTCH3 | |
| SCHEMBL7626581 | 0.79 | CCKBR (0.55) | CCKBRKCNH2NOTCH1NOTCH3 | |
| SCHEMBL7819355 | 0.78 | CCKBR (0.65) | CCKBRKCNH2 | |
| Hydrochloric Acid SCHEMBL7824167 | 0.77 | CCKBR (0.64) | CCKBRKCNH2 | |
| SCHEMBL7312531 | 0.77 | CCKBR (0.40) | CCKBRKCNH2NOTCH1NOTCH3 | |
| SCHEMBL9368599 | 0.76 | CCKBR (0.57) | CCKBRKCNH2 | |
| SCHEMBL7827288 | 0.76 | CCKBR (0.58) | CCKBRKCNH2 | |
| SCHEMBL7308632 | 0.75 | CCKBR (0.41) | CCKBRKCNH2NOTCH1NOTCH3 | |
| Hydrochloric Acid SCHEMBL9385743 | 0.73 | CCKBR (0.49) | CCKBRKCNH2 | |
| SCHEMBL9272997 | 0.68 | CCKBR (0.40) | CCKBR |
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-0652871-A1 | BENZODIAZEPINE DERIVATIVES | MERCK SHARP & DOHME LTD. (GB) | 1995-05-17 | — | — | EP | claimed |