Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
| ▸ | GRM5 | P41594 | 9/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | PNMT | P11086 | 1/20 | 0.35 |
| ▸ | HAO1 | Q9UJM8 | 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 | |
|---|---|---|---|---|
| SCHEMBL4562631 | 0.85 | KCNH2 (0.67) | KCNH2GRM5CYP2D6CYP2C9PTGDR2 | |
| SCHEMBL30707869 | 0.85 | KCNH2 (0.67) | KCNH2GRM5CYP2D6CYP2C9PTGDR2 | |
| Charcoal, Activated SCHEMBL31286308 | 0.83 | KCNH2 (0.64) | KCNH2GRM5CYP2D6CYP2C9PTGDR2 | |
| SCHEMBL25490062 | 0.79 | KCNH2 (0.55) | KCNH2GRM5CYP2D6CYP2C9PTGDR2 | |
| SCHEMBL29978649 | 0.79 | KCNH2 (0.55) | KCNH2GRM5CYP2D6CYP2C9PTGDR2 | |
| SCHEMBL718734 | 0.79 | KCNH2 (0.55) | KCNH2GRM5CYP2D6CYP2C9PTGDR2 | |
| SCHEMBL717449 | 0.79 | KCNH2 (0.60) | KCNH2GRM5CYP2D6CYP2C9PTGDR2 | |
| SCHEMBL21252707 | 0.77 | KCNH2 (0.53) | KCNH2GRM5CYP2D6CYP2C9PTGDR2 | |
| SCHEMBL2697031 | 0.77 | KCNH2 (0.58) | KCNH2GRM5CYP2D6CYP2C9PTGDR2 | |
| SCHEMBL30081497 | 0.77 | KCNH2 (0.58) | KCNH2GRM5CYP2D6CYP2C9PTGDR2 |
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-2018157800-A1 | MLKL INHIBITORS | NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) | 2018-09-07 | — | — | WO | disclosed |