Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 20/20 | 0.46 |
| ▸ | INSR | P06213 | 16/20 | 0.46 |
| ▸ | NPM1 | P06748 | 8/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | ABL1 | P00519 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | RET | P07949 | 1/20 | 0.44 |
| ▸ | IGF1R | P08069 | 1/20 | 0.44 |
| ▸ | MET | P08581 | 1/20 | 0.44 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 1/20 | 0.44 |
| ▸ | AKT1 | P31749 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | PLK1 | P53350 | 1/20 | 0.44 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.44 |
| ▸ | BTK | Q06187 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL21183052 | 0.92 | ALK (0.55) | ALKINSRNPM1KCNH2CYP3A4 | |
| SCHEMBL22985901 | 0.84 | EGFR (0.41) | ALKINSREGFRIGF1R | |
| SCHEMBL12245802 | 0.83 | ALK (0.63) | ALKINSRNPM1KCNH2CYP3A4 | |
| SCHEMBL23011312 | 0.83 | ALK (0.63) | ALKINSRNPM1KCNH2CYP3A4 | |
| SCHEMBL18457930 | 0.78 | ALK (0.74) | ALKINSRNPM1KCNH2CYP3A4 | |
| SCHEMBL21539062 | 0.78 | ALK (0.54) | ALKINSRNPM1KCNH2CYP3A4 | |
| SCHEMBL3958814 | 0.77 | ALK (0.66) | ALKINSRNPM1KCNH2CYP3A4 | |
| SCHEMBL14479213 | 0.77 | ALK (0.56) | ALKINSRNPM1KCNH2CYP3A4 | |
| SCHEMBL12246332 | 0.75 | ALK (0.58) | ALKINSRNPM1KCNH2CYP3A4 | |
| SCHEMBL12245803 | 0.75 | ALK (0.57) | ALKINSRNPM1KCNH2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3778604-A1 | LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME | Dana Farber Cancer Institute, Inc. (US) | 2021-02-17 | — | — | EP | disclosed |
| EP-3778605-A2 | LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME | Dana Farber Cancer Institute, Inc. (US) | 2021-02-17 | — | — | EP | disclosed |