Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 12/20 | 0.65 |
| ▸ | TACR3 | P29371 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 5/20 | 0.40 |
| ▸ | DPP8 | Q6V1X1 | 5/20 | 0.40 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | MDM2 | Q00987 | 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 | |
|---|---|---|---|---|
| SCHEMBL12952184 | 0.90 | KCNH2 (0.68) | KCNH2TACR3DPP4DPP8DPP7 | |
| SCHEMBL12782067 | 0.90 | KCNH2 (0.80) | KCNH2TACR3DPP4DPP8CYP3A4 | |
| SCHEMBL998387 | 0.89 | KCNH2 (0.81) | KCNH2DPP4DPP8DPP7CYP3A4 | |
| SCHEMBL12952188 | 0.89 | KCNH2 (0.71) | KCNH2TACR3DPP4DPP8DPP7 | |
| SCHEMBL2067372 | 0.89 | KCNH2 (0.66) | KCNH2DPP4DPP8DPP7CYP3A4 | |
| SCHEMBL2068398 | 0.87 | KCNH2 (0.61) | KCNH2DPP4DPP8CYP3A4 | |
| SCHEMBL20121565 | 0.86 | KCNH2 (0.63) | KCNH2DPP4DPP8DPP7CYP3A4 | |
| SCHEMBL12952270 | 0.86 | KCNH2 (0.73) | KCNH2TACR3DPP4DPP8CYP3A4 | |
| SCHEMBL2068807 | 0.86 | KCNH2 (0.58) | KCNH2TACR3CYP3A4 | |
| SCHEMBL2068091 | 0.85 | KCNH2 (0.59) | KCNH2DPP4DPP8DPP7CYP3A4 |
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 |