Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3852096 | 0.81 | — | — | |
| SCHEMBL17057156 | 0.79 | CYP2D6 (0.34) | CYP2D6KCNH2HRH3MEN1HTT | |
| SCHEMBL22219566 | 0.78 | — | — | |
| SCHEMBL355023 | 0.75 | CYP2D6 (0.32) | CYP2D6KCNH2HRH3MEN1HTT | |
| SCHEMBL11459167 | 0.75 | MEN1 (0.39) | CYP2D6KCNH2HRH3MEN1HTT | |
| SCHEMBL7009861 | 0.75 | MEN1 (0.39) | CYP2D6KCNH2HRH3MEN1HTT | |
| SCHEMBL11452012 | 0.75 | MEN1 (0.39) | CYP2D6KCNH2HRH3MEN1HTT | |
| SCHEMBL5615220 | 0.74 | EPHX1 (0.42) | CYP2D6KCNH2HRH3MEN1HTT | |
| SCHEMBL5270433 | 0.74 | — | — | |
| SCHEMBL22797 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022067100-A2 | PLK1 POLO BOX DOMAIN INHIBITOR AND METHOD OF TREATING CANCER | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2022-03-31 | — | — | WO | disclosed |