Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 13/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.32 |
| ▸ | AXL | P30530 | 1/20 | 0.30 |
| ▸ | BCDIN3D | Q7Z5W3 | 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 | |
|---|---|---|---|---|
| SCHEMBL997952 | 0.86 | KCNH2 (0.63) | KCNH2CYP3A4TGFBR1KDM4EUSP2 | |
| SCHEMBL997932 | 0.85 | KCNH2 (0.63) | KCNH2CYP3A4TGFBR1KDM4EUSP2 | |
| SCHEMBL997258 | 0.82 | KCNH2 (0.65) | KCNH2CYP3A4AXL | |
| SCHEMBL2068339 | 0.80 | KCNH2 (0.71) | KCNH2CYP3A4 | |
| SCHEMBL12952178 | 0.80 | KCNH2 (0.73) | KCNH2CYP3A4TGFBR1KCNK3 | |
| SCHEMBL2070450 | 0.80 | KCNH2 (0.73) | KCNH2CYP3A4TGFBR1KCNK3 | |
| SCHEMBL997523 | 0.80 | KCNH2 (0.73) | KCNH2CYP3A4TGFBR1KCNK3 | |
| SCHEMBL1049359 | 0.79 | KCNH2 (0.76) | KCNH2CYP3A4TGFBR1KCNK3 | |
| SCHEMBL1079300 | 0.79 | KCNH2 (0.76) | KCNH2CYP3A4TGFBR1KCNK3 | |
| SCHEMBL12782596 | 0.78 | KCNH2 (0.76) | KCNH2CYP3A4TGFBR1KCNK3 |
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 | disclosed |
| WO-2011006143-A2 | COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES | IRM LLC (BM) | 2011-01-13 | — | — | WO | disclosed |