Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 16/20 | 0.50 |
| ▸ | TOP2A | P11388 | 1/20 | 0.42 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3609924 | 0.92 | KCNH2 (0.53) | KCNH2TOP2ASLC2A1 | |
| SCHEMBL3609928 | 0.92 | KCNH2 (0.53) | KCNH2TOP2ASLC2A1 | |
| SCHEMBL13404485 | 0.91 | KCNH2 (0.49) | KCNH2TOP2ASLC2A1 | |
| SCHEMBL13404487 | 0.81 | KCNH2 (0.68) | KCNH2TOP2ASLC2A1 | |
| SCHEMBL3606730 | 0.81 | KCNH2 (0.68) | KCNH2TOP2ASLC2A1 | |
| SCHEMBL3616805 | 0.81 | KCNH2 (0.68) | KCNH2TOP2ASLC2A1 | |
| Hydrochloric Acid SCHEMBL3620869 | 0.81 | KCNH2 (0.67) | KCNH2TOP2ASLC2A1 | |
| Hydrochloric Acid SCHEMBL3605867 | 0.81 | KCNH2 (0.67) | KCNH2TOP2ASLC2A1 | |
| Hydrochloric Acid SCHEMBL3613753 | 0.81 | KCNH2 (0.67) | KCNH2TOP2ASLC2A1 | |
| SCHEMBL3617431 | 0.81 | KCNH2 (0.58) | KCNH2TOP2ASLC2A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008128953-A1 | TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS | GLAXO GROUP LIMITED (GB) | 2008-10-30 | — | — | WO | disclosed |