Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 12/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 6/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 4/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL998967 | 0.80 | KCNH2 (0.93) | KCNH2CYP3A4TP53MAPTGAA | |
| SCHEMBL12781793 | 0.78 | KCNH2 (0.79) | KCNH2CYP3A4TP53MAPTPOLB | |
| SCHEMBL1050138 | 0.77 | KCNH2 (0.93) | KCNH2CYP3A4TP53MAPTGAA | |
| SCHEMBL15313628 | 0.77 | KCNH2 (0.93) | KCNH2CYP3A4TP53MAPTGAA | |
| SCHEMBL30701605 | 0.77 | KCNH2 (0.64) | KCNH2CYP3A4RAB9AKMT2A | |
| SCHEMBL2068986 | 0.75 | KCNH2 (1.00) | KCNH2CYP3A4ALDH1A1 | |
| SCHEMBL21767982 | 0.74 | KCNH2 (0.61) | KCNH2CYP3A4ALDH1A1KMT2A | |
| SCHEMBL1051379 | 0.74 | KCNH2 (0.67) | KCNH2CYP3A4TP53ALDH1A1KMT2A | |
| SCHEMBL1051946 | 0.74 | KCNH2 (0.55) | KCNH2CYP3A4TP53MAPTGAA | |
| SCHEMBL1000957 | 0.73 | KCNH2 (0.57) | KCNH2CYP3A4GAAALDH1A1LMNA |
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 |