Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SENP1 | Q9P0U3 | 3/20 | 0.43 |
| ▸ | CCKBR | P32239 | 5/20 | 0.41 |
| ▸ | BRD4 | O60885 | 3/20 | 0.39 |
| ▸ | BRD2 | P25440 | 3/20 | 0.39 |
| ▸ | BRD3 | Q15059 | 3/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.38 |
| ▸ | CCKAR | P32238 | 1/20 | 0.38 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.38 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.37 |
| ▸ | PTH1R | Q03431 | 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 | |
|---|---|---|---|---|
| SCHEMBL6301597 | 0.86 | SENP1 (0.40) | SENP1CCKBRBRD4BRD2BRD3 | |
| SCHEMBL9866765 | 0.80 | BRD4 (0.41) | SENP1CCKBRBRD4BRD2BRD3 | |
| SCHEMBL4420628 | 0.80 | BRD4 (0.43) | SENP1CCKBRBRD4BRD2BRD3 | |
| SCHEMBL4416326 | 0.77 | CCKBR (0.42) | CCKBRBRD4BRD2BRD3SCN9A | |
| SCHEMBL4412064 | 0.77 | BRD4 (0.48) | CCKBRBRD4BRD2BRD3PTH1R | |
| SCHEMBL4414782 | 0.72 | BRD4 (0.51) | CCKBRBRD4BRD2BRD3 | |
| SCHEMBL9680422 | 0.72 | SENP1 (0.76) | SENP1CCKBRBRD4BRD2BRD3 | |
| SCHEMBL9423111 | 0.72 | SENP1 (0.76) | SENP1CCKBRBRD4BRD2BRD3 | |
| SCHEMBL6300299 | 0.71 | CTRB1 (0.39) | CCKBRSCN9ACTRB1 | |
| SCHEMBL6301561 | 0.70 | CTRB1 (0.38) | CCKBRSCN9ACTRB1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5324726-A | Gastrointestinal disorders, synergistic compound for analgesic | MERCK & CO., INC. (US) | 1994-06-28 | — | — | US | disclosed |
| EP-0523845-A2 | New benzodiazepine analogs | MERCK & CO. INC. (US) | 1993-01-20 | — | — | EP | disclosed |
| EP-0490590-A1 | New benzodiazepine analogs | MERCK & CO. INC. (US) | 1992-06-17 | — | — | EP | disclosed |
| EP-0434369-A1 | New benzodiazepine analogs | MERCK & CO. INC. (US) | 1991-06-26 | — | — | EP | disclosed |
| EP-0434360-A1 | New benziodiazepine analogs | MERCK & CO. INC. (US) | 1991-06-26 | — | — | EP | disclosed |