Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 13/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL998713 | 0.81 | KCNH2 (0.53) | KCNH2CYP3A4PTGDR2TP53GAA | |
| SCHEMBL1083266 | 0.80 | KCNH2 (0.55) | KCNH2CYP3A4 | |
| SCHEMBL997258 | 0.78 | KCNH2 (0.65) | KCNH2CYP3A4 | |
| SCHEMBL998298 | 0.78 | KCNH2 (0.54) | KCNH2CYP3A4TP53GAAMAPT | |
| SCHEMBL998632 | 0.78 | KCNH2 (0.62) | KCNH2CYP3A4TP53GAAMAPT | |
| SCHEMBL997860 | 0.77 | KCNH2 (0.58) | KCNH2CYP3A4PTGDR2 | |
| SCHEMBL997017 | 0.75 | KCNH2 (0.70) | KCNH2CYP3A4PTGDR2 | |
| SCHEMBL15750563 | 0.74 | KCNH2 (0.62) | KCNH2CYP3A4 | |
| SCHEMBL1001676 | 0.74 | KCNH2 (0.62) | KCNH2CYP3A4 | |
| SCHEMBL2068068 | 0.73 | KCNH2 (0.71) | KCNH2CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2451814-A2 | FUSED IMIDAZOLES AND COMPOSITIONS COMPRISING THEM FOR THE TREATMENT OF PARASITIC DISEASES, SUCH AS E.G. MALARIA | IRM LLC (BM) | 2012-05-16 | — | — | EP | claimed |
| WO-2011006143-A2 | COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES | IRM LLC (BM) | 2011-01-13 | — | — | WO | claimed |