Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCKBR | P32239 | 12/20 | 0.51 |
| ▸ | BDKRB1 | P46663 | 6/20 | 0.36 |
| ▸ | NOTCH1 | P46531 | 1/20 | 0.35 |
| ▸ | RBPJ | Q06330 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9566076 | 0.83 | CCKBR (0.49) | CCKBRBDKRB1NOTCH1RBPJDRD2 | |
| SCHEMBL7594182 | 0.77 | CCKBR (0.70) | CCKBRBDKRB1 | |
| SCHEMBL9368725 | 0.74 | CCKBR (0.49) | CCKBRDRD2 | |
| SCHEMBL8540989 | 0.74 | CCKBR (0.55) | CCKBRDRD2DRD1 | |
| Acetic Acid SCHEMBL8883854 | 0.73 | CCKBR (0.56) | CCKBRBDKRB1NOTCH1RBPJDRD2 | |
| Trifluoroacetic Acid SCHEMBL8590781 | 0.70 | CCKBR (0.56) | CCKBRBDKRB1NOTCH1RBPJDRD2 | |
| Benzene SCHEMBL8824680 | 0.70 | CCKBR (0.64) | CCKBRBDKRB1NOTCH1RBPJ | |
| SCHEMBL9369254 | 0.67 | CCKBR (0.73) | CCKBRBDKRB1 | |
| SCHEMBL9368456 | 0.67 | CCKBR (1.00) | CCKBR | |
| SCHEMBL9368848 | 0.67 | CCKBR (1.00) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2002099388-A2 | BENZODIAZEPINE BRADYKININ ANTAGONISTS | MERCK & CO., INC. (US) | 2002-12-12 | — | — | WO | claimed |