Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 13/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.36 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.35 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL2067698 | 1.00 | KCNH2 (0.68) | KCNH2CYP3A4TGFBR1CSNK1DCSNK1E | |
| SCHEMBL2068532 | 0.95 | KCNH2 (0.66) | KCNH2CYP3A4TGFBR1CSNK1DCSNK1E | |
| SCHEMBL2068018 | 0.90 | KCNH2 (0.68) | KCNH2CYP3A4TGFBR1CSNK1DCSNK1E | |
| SCHEMBL2068844 | 0.90 | KCNH2 (0.68) | KCNH2CYP3A4TGFBR1CSNK1DCSNK1E | |
| SCHEMBL2067500 | 0.88 | KCNH2 (0.65) | KCNH2CYP3A4SLC2A1 | |
| SCHEMBL2068676 | 0.86 | KCNH2 (0.63) | KCNH2CYP3A4MAPTTP53 | |
| SCHEMBL1049722 | 0.86 | KCNH2 (0.75) | KCNH2CYP3A4TGFBR1CSNK1DCSNK1E | |
| SCHEMBL17636408 | 0.86 | KCNH2 (0.68) | KCNH2CYP3A4TGFBR1CSNK1DCSNK1E | |
| SCHEMBL2068226 | 0.85 | KCNH2 (0.69) | KCNH2CYP3A4TGFBR1CSNK1DCSNK1E | |
| SCHEMBL2069996 | 0.85 | KCNH2 (0.69) | KCNH2CYP3A4TGFBR1CSNK1DCSNK1E |
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 |