Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 13/20 | 0.77 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.38 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12952026 | 0.97 | KCNH2 (0.78) | KCNH2CYP3A4L3MBTL1CNR1CNR2 | |
| SCHEMBL12952259 | 0.91 | KCNH2 (0.69) | KCNH2CYP3A4L3MBTL1MEN1KMT2A | |
| SCHEMBL20121553 | 0.91 | KCNH2 (0.71) | KCNH2CYP3A4L3MBTL1MEN1KMT2A | |
| SCHEMBL20121542 | 0.90 | KCNH2 (0.68) | KCNH2CYP3A4L3MBTL1MEN1KMT2A | |
| SCHEMBL2069249 | 0.90 | KCNH2 (0.81) | KCNH2CYP3A4CSNK1DCSNK1ETGFBR1 | |
| SCHEMBL2069361 | 0.90 | KCNH2 (0.72) | KCNH2CYP3A4L3MBTL1MEN1KMT2A | |
| SCHEMBL12952260 | 0.90 | KCNH2 (0.75) | KCNH2CYP3A4L3MBTL1CNR1CNR2 | |
| SCHEMBL12952249 | 0.89 | KCNH2 (0.71) | KCNH2CYP3A4L3MBTL1CSNK1DCSNK1E | |
| SCHEMBL20121600 | 0.89 | KCNH2 (0.73) | KCNH2CYP3A4MEN1KMT2ATGFBR1 | |
| SCHEMBL20121576 | 0.88 | KCNH2 (0.78) | KCNH2CYP3A4MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-9963454-B2 | Compounds and compositions for the treatment of parasitic disease | NOVARTIS AG (CH) | 2018-05-08 | — | — | US | disclosed |
| WO-2011006143-A2 | COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES | IRM LLC (BM) | 2011-01-13 | — | — | WO | disclosed |