Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 13/20 | 0.80 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.40 |
| ▸ | CSNK1D | P48730 | 3/20 | 0.38 |
| ▸ | CSNK1E | P49674 | 3/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15340406 | 0.91 | KCNH2 (0.83) | KCNH2CYP3A4PDK2CSNK1DCSNK1E | |
| SCHEMBL1049719 | 0.91 | KCNH2 (0.83) | KCNH2CYP3A4PDK2CSNK1DCSNK1E | |
| SCHEMBL2068305 | 0.91 | KCNH2 (0.83) | KCNH2CYP3A4PDK2CSNK1DCSNK1E | |
| SCHEMBL2068060 | 0.89 | KCNH2 (0.80) | KCNH2CYP3A4PDK2CSNK1DCSNK1E | |
| SCHEMBL1048749 | 0.89 | KCNH2 (0.80) | KCNH2CYP3A4PDK2CSNK1DCSNK1E | |
| SCHEMBL20121564 | 0.89 | KCNH2 (0.74) | KCNH2CYP3A4PDK2CSNK1DCSNK1E | |
| SCHEMBL2068261 | 0.89 | KCNH2 (1.00) | KCNH2CYP3A4PDK2CSNK1DCSNK1E | |
| SCHEMBL2069056 | 0.88 | KCNH2 (0.84) | KCNH2CYP3A4PDK2CSNK1DCSNK1E | |
| SCHEMBL2068475 | 0.87 | KCNH2 (0.85) | KCNH2CYP3A4PDK2CSNK1DCSNK1E | |
| SCHEMBL12782072 | 0.87 | KCNH2 (0.79) | KCNH2CYP3A4PDK2CSNK1DCSNK1E |
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 |
|---|---|---|---|---|---|---|---|
| US-9963454-B2 | Compounds and compositions for the treatment of parasitic disease | NOVARTIS AG (CH) | 2018-05-08 | — | — | US | disclosed |