Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 12/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | TP53 | P04637 | 4/20 | 0.35 |
| ▸ | GAA | P10253 | 4/20 | 0.35 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 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 | |
|---|---|---|---|---|
| SCHEMBL20121532 | 0.95 | KCNH2 (0.67) | KCNH2CYP3A4 | |
| SCHEMBL1049907 | 0.82 | KCNH2 (1.00) | KCNH2CYP3A4PTGDR2MAPTTP53 | |
| SCHEMBL30718360 | 0.82 | KCNH2 (1.00) | KCNH2CYP3A4PTGDR2MAPTTP53 | |
| SCHEMBL2068857 | 0.81 | KCNH2 (0.68) | KCNH2CYP3A4PTGDR2MAPTTP53 | |
| SCHEMBL1051702 | 0.78 | KCNH2 (0.91) | KCNH2CYP3A4PTGDR2MAPTTP53 | |
| SCHEMBL1049043 | 0.77 | KCNH2 (0.62) | KCNH2CYP3A4PTGDR2MAPTTP53 | |
| Ganaplacide SCHEMBL1047381 | 0.76 | KCNH2 (1.00) | KCNH2CYP3A4PTGDR2 | |
| SCHEMBL1051379 | 0.76 | KCNH2 (0.67) | KCNH2CYP3A4TP53MEN1KMT2A | |
| SCHEMBL1000969 | 0.76 | KCNH2 (0.54) | KCNH2CYP3A4MAPTSMN1; SMN2MEN1 | |
| SCHEMBL30701605 | 0.75 | KCNH2 (0.64) | KCNH2CYP3A4MEN1KMT2A |
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 |