Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.71 |
| ▸ | CCKBR | P32239 | 8/20 | 0.48 |
| ▸ | CCKAR | P32238 | 1/20 | 0.48 |
| ▸ | PSEN1 | P49768 | 3/20 | 0.48 |
| ▸ | PSEN2 | P49810 | 3/20 | 0.48 |
| ▸ | APH1B | Q8WW43 | 3/20 | 0.48 |
| ▸ | NCSTN | Q92542 | 3/20 | 0.48 |
| ▸ | APH1A | Q96BI3 | 3/20 | 0.48 |
| ▸ | PSENEN | Q9NZ42 | 3/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 5/20 | 0.48 |
| ▸ | HDAC5 | Q9UQL6 | 5/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8644964 | 0.91 | KCNH2 (0.58) | KCNH2CCKBRCCKARPSEN1PSEN2 | |
| SCHEMBL8745310 | 0.91 | KCNH2 (0.73) | KCNH2CCKBRCCKARPSEN1PSEN2 | |
| SCHEMBL8837719 | 0.88 | KCNH2 (0.70) | KCNH2CCKBRCCKARPSEN1PSEN2 | |
| SCHEMBL7094137 | 0.83 | KCNH2 (0.73) | KCNH2CCKBRCCKARPSEN1PSEN2 | |
| SCHEMBL7090700 | 0.83 | KCNH2 (1.00) | KCNH2CCKBRCCKARPSEN1PSEN2 | |
| SCHEMBL7087129 | 0.83 | KCNH2 (1.00) | KCNH2CCKBRCCKARPSEN1PSEN2 | |
| SCHEMBL9286936 | 0.83 | KCNH2 (0.63) | KCNH2CCKBRCCKARPSEN1PSEN2 | |
| SCHEMBL8837622 | 0.82 | KCNH2 (0.72) | KCNH2CCKBRCCKARPSEN1PSEN2 | |
| SCHEMBL8745122 | 0.80 | HDAC3 (0.58) | KCNH2CCKBRCCKARHDAC3HDAC4 | |
| SCHEMBL7166027 | 0.79 | KCNH2 (0.76) | KCNH2CCKBRCCKARPSEN1PSEN2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0730584-A4 | 3-ACYLAMINOBENZODIAZEPINES | MERCK & CO INC (US) | 1997-03-19 | — | — | EP | disclosed |
| US-5597818-A | CARDIOVASCULAR DISORDERS | MERCK & CO., INC. (US) | 1997-01-28 | — | — | US | disclosed |
| EP-0730584-A1 | 3-ACYLAMINOBENZODIAZEPINES | MERCK & CO. INC. (US) | 1996-09-11 | — | — | EP | disclosed |
| US-5428031-A | Benzodiazepine analogs; cardiovascular disorders | MERCK & CO., INC. (US) | 1995-06-27 | — | — | US | disclosed |
| US-5428157-A | Antiarrhythmia agents | MERCK & CO., INC. (US) | 1995-06-27 | — | — | US | disclosed |
| WO-1995014676-A1 | 3-ACYLAMINOBENZODIAZEPINES | MERCK & CO., INC. (US) | 1995-06-01 | — | — | WO | disclosed |