Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.53 |
| ▸ | MCHR1 | Q99705 | 12/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.41 |
| ▸ | WDR5 | P61964 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL14741133 | 1.00 | KCNH2 (0.53) | KCNH2MCHR1HRH4HRH3WDR5 | |
| SCHEMBL14758835 | 0.95 | KCNH2 (0.57) | KCNH2MCHR1WDR5 | |
| SCHEMBL14745687 | 0.95 | KCNH2 (0.57) | KCNH2MCHR1WDR5 | |
| SCHEMBL14758820 | 0.95 | KCNH2 (0.57) | KCNH2MCHR1WDR5 | |
| Hydrochloric Acid SCHEMBL14745362 | 0.94 | KCNH2 (0.56) | KCNH2MCHR1WDR5 | |
| Trifluoroacetic Acid SCHEMBL14741239 | 0.92 | KCNH2 (0.44) | KCNH2MCHR1HRH4HRH3WDR5 | |
| SCHEMBL14744994 | 0.90 | KCNH2 (0.49) | KCNH2MCHR1WDR5 | |
| Trifluoroacetic Acid SCHEMBL16568721 | 0.88 | KCNH2 (0.40) | KCNH2MCHR1 | |
| Trifluoroacetic Acid SCHEMBL14745223 | 0.87 | DYRK1A (0.42) | KCNH2HRH4HRH3 | |
| SCHEMBL14758914 | 0.87 | KCNH2 (0.47) | KCNH2MCHR1WDR5 |
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-2016039936-A2 | MONOCYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS | PTC THERAPEUTICS, INC. (US) | 2016-03-17 | — | — | WO | claimed |