Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 13/20 | 1.00 |
| ▸ | SCN5A | Q14524 | 12/20 | 1.00 |
| ▸ | CSF1R | P07333 | 6/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL1276898 | 0.93 | SCN5A (1.00) | KCNH2SCN5ACSF1R | |
| SCHEMBL29684537 | 0.93 | SCN5A (1.00) | KCNH2SCN5ACSF1R | |
| SCHEMBL1276807 | 0.90 | SCN5A (1.00) | KCNH2SCN5ACSF1R | |
| SCHEMBL1580922 | 0.90 | KCNH2 (1.00) | KCNH2SCN5ACSF1R | |
| SCHEMBL1579605 | 0.90 | SCN5A (0.83) | KCNH2SCN5ACSF1R | |
| SCHEMBL1579915 | 0.87 | SCN5A (0.81) | KCNH2SCN5ACSF1R | |
| SCHEMBL1579528 | 0.87 | KCNH2 (0.77) | KCNH2SCN5ACSF1R | |
| SCHEMBL1579537 | 0.87 | SCN5A (0.81) | KCNH2SCN5ACSF1R | |
| SCHEMBL1579655 | 0.87 | SCN5A (0.81) | KCNH2SCN5ACSF1R | |
| SCHEMBL1579889 | 0.86 | SCN5A (0.83) | KCNH2SCN5ACSF1R |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180068053-A1 | SYSTEMS AND METHODS OF SELECTING COMPOUNDS WITH REDUCED RISK OF CARDIOTOXICITY USING CARDIAC SODIUM ION CHANNEL MODELS | UNIV ALBERTA (CA) | 2018-03-08 | — | — | US | disclosed |
| US-20180068053-A1 | SYSTEMS AND METHODS OF SELECTING COMPOUNDS WITH REDUCED RISK OF CARDIOTOXICITY USING CARDIAC SODIUM ION CHANNEL MODELS | UNIV ALBERTA (CA) | 2018-03-08 | — | — | US | disclosed |
| US-20180068053-A1 | SYSTEMS AND METHODS OF SELECTING COMPOUNDS WITH REDUCED RISK OF CARDIOTOXICITY USING CARDIAC SODIUM ION CHANNEL MODELS | UNIV ALBERTA (CA) | 2018-03-08 | — | — | US | disclosed |