Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 13/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.36 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20121600 | 0.95 | KCNH2 (0.73) | KCNH2CYP3A4MEN1KMT2ATP53 | |
| SCHEMBL12952259 | 0.92 | KCNH2 (0.69) | KCNH2CYP3A4L3MBTL1MEN1KMT2A | |
| SCHEMBL12952026 | 0.92 | KCNH2 (0.78) | KCNH2CYP3A4L3MBTL1MEN1KMT2A | |
| SCHEMBL12952020 | 0.91 | KCNH2 (0.77) | KCNH2CYP3A4L3MBTL1MEN1KMT2A | |
| SCHEMBL12952249 | 0.87 | KCNH2 (0.71) | KCNH2CYP3A4L3MBTL1USP2LMNA | |
| SCHEMBL1051800 | 0.86 | KCNH2 (0.76) | KCNH2CYP3A4CSNK1DCSNK1ETGFBR1 | |
| SCHEMBL2069249 | 0.86 | KCNH2 (0.81) | KCNH2CYP3A4TP53CSNK1DCSNK1E | |
| SCHEMBL1046563 | 0.86 | KCNH2 (0.65) | KCNH2CYP3A4MEN1KMT2ATP53 | |
| SCHEMBL12952260 | 0.86 | KCNH2 (0.75) | KCNH2CYP3A4L3MBTL1CSNK1DCSNK1E | |
| SCHEMBL1051024 | 0.85 | KCNH2 (0.66) | KCNH2CYP3A4MEN1KMT2ATP53 |
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 1 patent. 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 |