Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 13/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.34 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | CDK9 | P50750 | 1/20 | 0.34 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | JAK3 | P52333 | 1/20 | 0.33 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.33 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.33 |
| ▸ | CSNK1D | P48730 | 2/20 | 0.33 |
| ▸ | CSNK1E | P49674 | 2/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2068503 | 0.85 | KCNH2 (0.57) | KCNH2CYP3A4 | |
| SCHEMBL12952019 | 0.81 | KCNH2 (0.71) | KCNH2CYP3A4TGFBR1 | |
| SCHEMBL15760198 | 0.80 | KCNH2 (0.56) | KCNH2CYP3A4CCNT1CCNA2CDK2 | |
| SCHEMBL2068778 | 0.79 | KCNH2 (0.81) | KCNH2CYP3A4TGFBR1CSNK1DCSNK1E | |
| SCHEMBL20121186 | 0.79 | KCNH2 (0.81) | KCNH2CYP3A4TGFBR1CSNK1DCSNK1E | |
| SCHEMBL17626302 | 0.78 | KCNH2 (0.59) | KCNH2CYP3A4CSNK1DCSNK1E | |
| SCHEMBL17626366 | 0.78 | KCNH2 (0.61) | KCNH2CYP3A4CSNK1DCSNK1E | |
| SCHEMBL15760160 | 0.78 | KCNH2 (0.77) | KCNH2CYP3A4CYP2C9CYP2C19TGFBR1 | |
| SCHEMBL2068261 | 0.78 | KCNH2 (1.00) | KCNH2CYP3A4TGFBR1CSNK1DCSNK1E | |
| SCHEMBL2069056 | 0.77 | KCNH2 (0.84) | KCNH2CYP3A4TGFBR1CSNK1DCSNK1E |
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 |