Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 13/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | DPP4 | P27487 | 4/20 | 0.38 |
| ▸ | DPP8 | Q6V1X1 | 4/20 | 0.38 |
| ▸ | MLNR | O43193 | 1/20 | 0.38 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.38 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.37 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20121599 | 0.97 | KCNH2 (0.68) | KCNH2CYP3A4DPP4DPP8MLNR | |
| SCHEMBL20121570 | 0.97 | KCNH2 (0.64) | KCNH2CYP3A4DPP4DPP8MLNR | |
| SCHEMBL20121545 | 0.95 | KCNH2 (0.75) | KCNH2CYP3A4DPP4DPP8MLNR | |
| SCHEMBL20121560 | 0.94 | KCNH2 (0.63) | KCNH2CYP3A4MLNR | |
| SCHEMBL20121557 | 0.93 | KCNH2 (0.71) | KCNH2CYP3A4DPP4DPP8MLNR | |
| SCHEMBL15760180 | 0.93 | KCNH2 (0.69) | KCNH2CYP3A4DPP4DPP8MLNR | |
| SCHEMBL12952187 | 0.90 | KCNH2 (0.70) | KCNH2CYP3A4DPP4DPP8MLNR | |
| SCHEMBL20121610 | 0.90 | KCNH2 (0.70) | KCNH2CYP3A4MLNR | |
| SCHEMBL20121548 | 0.90 | KCNH2 (0.80) | KCNH2CYP3A4MLNR | |
| SCHEMBL15760207 | 0.89 | KCNH2 (0.72) | KCNH2CYP3A4DPP4DPP8CSNK1D |
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 |