Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 13/20 | 0.74 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CSNK1D | P48730 | 3/20 | 0.36 |
| ▸ | CSNK1E | P49674 | 3/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15760160 | 0.92 | KCNH2 (0.77) | KCNH2CYP3A4CSNK1DCSNK1ETGFBR1 | |
| SCHEMBL2068778 | 0.89 | KCNH2 (0.81) | KCNH2CYP3A4CSNK1DCSNK1ETGFBR1 | |
| SCHEMBL15750535 | 0.89 | KCNH2 (0.78) | KCNH2CYP3A4CSNK1DCSNK1ETGFBR1 | |
| SCHEMBL20121186 | 0.89 | KCNH2 (0.81) | KCNH2CYP3A4CSNK1DCSNK1ETGFBR1 | |
| SCHEMBL20121535 | 0.89 | KCNH2 (0.80) | KCNH2CYP3A4CSNK1DCSNK1ETGFBR1 | |
| SCHEMBL2068261 | 0.85 | KCNH2 (1.00) | KCNH2CYP3A4CSNK1DCSNK1ETGFBR1 | |
| SCHEMBL12952248 | 0.85 | KCNH2 (0.75) | KCNH2CYP3A4 | |
| SCHEMBL2069056 | 0.84 | KCNH2 (0.84) | KCNH2CYP3A4CSNK1DCSNK1ETGFBR1 | |
| SCHEMBL1049719 | 0.84 | KCNH2 (0.83) | KCNH2CYP3A4CSNK1DCSNK1ETGFBR1 | |
| SCHEMBL15340406 | 0.84 | KCNH2 (0.83) | KCNH2CYP3A4CSNK1DCSNK1ETGFBR1 |
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 |