Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCKBR | P32239 | 9/20 | 0.49 |
| ▸ | BDKRB1 | P46663 | 5/20 | 0.37 |
| ▸ | DRD2 | P14416 | 4/20 | 0.36 |
| ▸ | DRD1 | P21728 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | NOTCH1 | P46531 | 1/20 | 0.35 |
| ▸ | RBPJ | Q06330 | 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 | |
|---|---|---|---|---|
| SCHEMBL7593239 | 0.83 | CCKBR (0.51) | CCKBRBDKRB1DRD2DRD1NOTCH1 | |
| SCHEMBL9368725 | 0.82 | CCKBR (0.49) | CCKBRDRD2 | |
| SCHEMBL9369254 | 0.78 | CCKBR (0.73) | CCKBRBDKRB1 | |
| SCHEMBL8540989 | 0.76 | CCKBR (0.55) | CCKBRDRD2DRD1MEN1ALDH1A1 | |
| Acetic Acid SCHEMBL8883854 | 0.76 | CCKBR (0.56) | CCKBRBDKRB1DRD2DRD1ALDH1A1 | |
| SCHEMBL7597644 | 0.75 | BDKRB1 (0.39) | CCKBRBDKRB1KDM4EALDH1A1MAPT | |
| SCHEMBL7592838 | 0.74 | BDKRB1 (0.55) | CCKBRBDKRB1 | |
| SCHEMBL9008723 | 0.73 | BDKRB1 (0.54) | CCKBRBDKRB1 | |
| Trifluoroacetic Acid SCHEMBL8590781 | 0.73 | CCKBR (0.56) | CCKBRBDKRB1DRD2DRD1NOTCH1 | |
| SCHEMBL9368479 | 0.73 | CCKBR (0.81) | 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-0539170-A1 | Benzodiazepine derivatives and their use as antagonists of cholecystokinin and/or gastrin receptors | MERCK SHARP & DOHME LTD. (GB) | 1993-04-28 | — | — | EP | disclosed |