Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 12/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.36 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | TACR3 | P29371 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL12952035 | 0.94 | KCNH2 (0.66) | KCNH2CYP3A4CSNK1DCSNK1EP2RX7 | |
| SCHEMBL12952037 | 0.88 | KCNH2 (0.60) | KCNH2CYP3A4TP53CSNK1DCSNK1E | |
| SCHEMBL1051335 | 0.87 | KCNH2 (0.61) | KCNH2CYP3A4TP53CSNK1DCSNK1E | |
| SCHEMBL17626540 | 0.86 | KCNH2 (0.57) | KCNH2CYP3A4TP53CSNK1DCSNK1E | |
| SCHEMBL12952034 | 0.85 | KCNH2 (0.62) | KCNH2CSNK1EP2RX7 | |
| SCHEMBL20121591 | 0.85 | KCNH2 (0.60) | KCNH2CYP3A4CSNK1DCSNK1E | |
| SCHEMBL17626347 | 0.83 | KCNH2 (0.58) | KCNH2CYP3A4TP53CSNK1DCSNK1E | |
| SCHEMBL20121600 | 0.83 | KCNH2 (0.73) | KCNH2CYP3A4TP53TAAR1 | |
| SCHEMBL2068792 | 0.83 | KCNH2 (0.57) | KCNH2TP53 | |
| SCHEMBL2068891 | 0.82 | KCNH2 (0.75) | KCNH2CYP3A4CSNK1DCSNK1EP2RX7 |
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 |