Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 13/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.39 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.39 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.39 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.39 |
| ▸ | TGFBR1 | P36897 | 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 | |
|---|---|---|---|---|
| SCHEMBL2068101 | 0.95 | KCNH2 (0.75) | KCNH2CYP3A4CSNK1DCSNK1EDPP4 | |
| SCHEMBL15760207 | 0.91 | KCNH2 (0.72) | KCNH2CYP3A4P2RX7CSNK1DCSNK1E | |
| SCHEMBL2067454 | 0.91 | KCNH2 (0.82) | KCNH2CYP3A4PTGDR2P2RX7DPP4 | |
| SCHEMBL1052384 | 0.91 | KCNH2 (0.82) | KCNH2CYP3A4PTGDR2P2RX7DPP4 | |
| SCHEMBL1049388 | 0.90 | KCNH2 (0.77) | KCNH2CYP3A4P2RX7CSNK1DCSNK1E | |
| SCHEMBL20121554 | 0.88 | KCNH2 (0.68) | KCNH2CYP3A4PTGDR2P2RX7 | |
| SCHEMBL12952195 | 0.87 | KCNH2 (0.74) | KCNH2CYP3A4PTGDR2P2RX7 | |
| SCHEMBL20121549 | 0.87 | KCNH2 (0.68) | KCNH2CYP3A4PTGDR2P2RX7CSNK1D | |
| SCHEMBL12952045 | 0.87 | KCNH2 (0.68) | KCNH2CYP3A4PTGDR2P2RX7CSNK1D | |
| SCHEMBL12952054 | 0.86 | KCNH2 (0.70) | KCNH2CYP3A4PTGDR2P2RX7 |
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 |