Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 13/20 | 0.80 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.39 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.39 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12952046 | 0.96 | KCNH2 (0.74) | KCNH2CYP3A4CSNK1DCSNK1ETGFBR1 | |
| SCHEMBL2068457 | 0.94 | KCNH2 (0.78) | KCNH2CYP3A4CSNK1DCSNK1ETGFBR1 | |
| SCHEMBL2070871 | 0.92 | KCNH2 (0.76) | KCNH2CYP3A4CSNK1DCSNK1ETGFBR1 | |
| SCHEMBL20121561 | 0.92 | KCNH2 (0.76) | KCNH2CYP3A4CSNK1DCSNK1ETGFBR1 | |
| SCHEMBL2069762 | 0.91 | KCNH2 (0.75) | KCNH2CYP3A4CSNK1DCSNK1ETGFBR1 | |
| SCHEMBL1051468 | 0.89 | KCNH2 (0.77) | KCNH2CYP3A4CSNK1DCSNK1ETGFBR1 | |
| SCHEMBL15760130 | 0.89 | KCNH2 (0.71) | KCNH2CYP3A4CSNK1DCSNK1ETGFBR1 | |
| SCHEMBL1050387 | 0.89 | KCNH2 (0.82) | KCNH2CYP3A4CSNK1DCSNK1ETGFBR1 | |
| SCHEMBL1048701 | 0.89 | KCNH2 (1.00) | KCNH2CYP3A4TGFBR1TP53MAPT | |
| SCHEMBL998631 | 0.89 | KCNH2 (1.00) | KCNH2CYP3A4TGFBR1TP53MAPT |
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 |