Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 5/20 | 0.58 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.58 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.58 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.58 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.58 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.58 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.58 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.58 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.58 |
| ▸ | HDAC9 | Q9UKV0 | 5/20 | 0.58 |
| ▸ | HDAC5 | Q9UQL6 | 5/20 | 0.58 |
| ▸ | CCKBR | P32239 | 6/20 | 0.49 |
| ▸ | CCKAR | P32238 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.48 |
| ▸ | OXTR | P30559 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8837578 | 0.81 | KCNH2 (0.55) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL7167124 | 0.81 | HDAC3 (0.80) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL8609406 | 0.81 | HDAC3 (0.80) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL8745135 | 0.80 | KCNH2 (0.71) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL9257446 | 0.80 | CCKBR (0.57) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL8644964 | 0.78 | KCNH2 (0.58) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL8623352 | 0.77 | KCNH2 (0.56) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL7593622 | 0.77 | CCKBR (0.58) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL7170310 | 0.76 | HDAC3 (0.76) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL8608841 | 0.76 | HDAC3 (0.76) | HDAC3HDAC4HDAC1HDAC7HDAC2 |
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 |