Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.35 |
| ▸ | GSK3A | P49840 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.35 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.35 |
| ▸ | TRPV3 | Q8NET8 | 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 | |
|---|---|---|---|---|
| SCHEMBL5262915 | 1.00 | KCNH2 (0.38) | KCNH2CDK8GSK3AGSK3BCDK9 | |
| SCHEMBL14498883 | 0.86 | CDK8 (0.37) | KCNH2CDK8GSK3AGSK3BCDK9 | |
| SCHEMBL14341460 | 0.86 | CDK8 (0.37) | KCNH2CDK8GSK3AGSK3BCDK9 | |
| SCHEMBL14341201 | 0.84 | KCNH2 (0.36) | KCNH2 | |
| SCHEMBL14498891 | 0.81 | KCNH2 (0.40) | KCNH2 | |
| SCHEMBL14341259 | 0.81 | KCNH2 (0.40) | KCNH2 | |
| Bicarbonate SCHEMBL4045725 | 0.81 | KCNH2 (0.41) | KCNH2TRPV3 | |
| Bicarbonate SCHEMBL4043287 | 0.81 | KCNH2 (0.41) | KCNH2TRPV3 | |
| Bicarbonate SCHEMBL4044942 | 0.81 | KCNH2 (0.41) | KCNH2TRPV3 | |
| SCHEMBL5262807 | 0.79 | KCNH2 (0.45) | KCNH2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1399443-B1 | NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS | SMITHKLINE BEECHAM PLC (GB) | 2007-12-12 | — | — | EP | claimed |