Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | ALOX5 | P09917 | 5/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1046633 | 0.88 | KCNH2 (0.72) | KCNH2CYP3A4ALOX5ADORA1CSNK1E | |
| SCHEMBL1051312 | 0.88 | KCNH2 (0.72) | KCNH2CYP3A4ALOX5ADORA1CSNK1E | |
| SCHEMBL998581 | 0.87 | KCNH2 (0.73) | KCNH2CYP3A4ALOX5ADORA1ADORA3 | |
| SCHEMBL1049778 | 0.85 | KCNH2 (0.73) | KCNH2CYP3A4ALOX5CSNK1E | |
| SCHEMBL15760182 | 0.81 | KCNH2 (0.55) | KCNH2CYP3A4 | |
| SCHEMBL1051930 | 0.80 | KCNH2 (0.70) | KCNH2CYP3A4ALOX5CSNK1E | |
| SCHEMBL1048320 | 0.80 | KCNH2 (0.70) | KCNH2CYP3A4MAPK14 | |
| SCHEMBL1050854 | 0.78 | KCNH2 (0.68) | KCNH2CYP3A4ALOX5CSNK1E | |
| SCHEMBL1048483 | 0.78 | KCNH2 (0.68) | KCNH2CYP3A4ALOX5TLR9 | |
| SCHEMBL1051385 | 0.78 | KCNH2 (0.70) | KCNH2CYP3A4ALOX5MAPK14LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011006143-A2 | COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES | IRM LLC (BM) | 2011-01-13 | — | — | WO | disclosed |