Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.61 |
| ▸ | OXTR | P30559 | 8/20 | 0.53 |
| ▸ | CALCRL | Q16602 | 8/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8837133 | 0.90 | KCNH2 (0.75) | KCNH2OXTRCALCRL | |
| SCHEMBL8615196 | 0.87 | KCNH2 (0.57) | KCNH2OXTRCALCRLSIGMAR1 | |
| SCHEMBL8462710 | 0.86 | KCNH2 (0.81) | KCNH2OXTRCALCRL | |
| SCHEMBL8617494 | 0.86 | KCNH2 (0.60) | KCNH2OXTRCALCRL | |
| SCHEMBL8612435 | 0.85 | KCNH2 (0.76) | KCNH2OXTRCALCRLSIGMAR1 | |
| SCHEMBL8620115 | 0.82 | KCNH2 (0.68) | KCNH2OXTRCALCRL | |
| SCHEMBL8620108 | 0.80 | KCNH2 (0.77) | KCNH2CALCRL | |
| SCHEMBL8837174 | 0.80 | KCNH2 (0.53) | KCNH2CALCRL | |
| SCHEMBL8619024 | 0.77 | KCNH2 (0.53) | KCNH2CALCRL | |
| SCHEMBL8463081 | 0.76 | KCNH2 (0.85) | KCNH2CALCRL |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0831833-A4 | NOVEL 5-CYCLOPROPYL-1,4 BENZODIAZEPINE-2-ONES | MERCK & CO INC (US) | 1998-10-07 | — | — | EP | claimed |
| EP-0831833-A1 | NOVEL 5-CYCLOPROPYL-1,4 BENZODIAZEPINE-2-ONES | Merck & Co., Inc. (US) | 1998-04-01 | — | — | EP | claimed |
| US-5631251-A | 5-cyclopropyl-1,4 benzodiazepine-2-ones | MERCK & CO., INC. (US) | 1997-05-20 | — | — | US | claimed |
| WO-1996040146-A1 | NOVEL 5-CYCLOPROPYL-1,4 BENZODIAZEPINE-2-ONES | MERCK & CO., INC. (US) | 1996-12-19 | — | — | WO | claimed |
| EP-0831833-A4 | NOVEL 5-CYCLOPROPYL-1,4 BENZODIAZEPINE-2-ONES | MERCK & CO INC (US) | 1998-10-07 | — | — | EP | disclosed |
| EP-0831833-A1 | NOVEL 5-CYCLOPROPYL-1,4 BENZODIAZEPINE-2-ONES | Merck & Co., Inc. (US) | 1998-04-01 | — | — | EP | disclosed |
| US-5631251-A | 5-cyclopropyl-1,4 benzodiazepine-2-ones | MERCK & CO., INC. (US) | 1997-05-20 | — | — | US | disclosed |
| WO-1996040146-A1 | NOVEL 5-CYCLOPROPYL-1,4 BENZODIAZEPINE-2-ONES | MERCK & CO., INC. (US) | 1996-12-19 | — | — | WO | disclosed |