Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 19/20 | 0.54 |
| ▸ | ROS1 | P08922 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.54 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.54 |
| ▸ | JAK2 | O60674 | 15/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL21911083 | 1.00 | NTRK1 (0.54) | NTRK1ROS1CYP2C9CYP2C19KCNH2 | |
| SCHEMBL21911084 | 0.92 | NTRK1 (0.56) | NTRK1JAK2 | |
| SCHEMBL24168768 | 0.88 | NTRK1 (0.51) | NTRK1ROS1CYP2C9CYP2C19KCNH2 | |
| SCHEMBL24030442 | 0.88 | NTRK1 (0.65) | NTRK1JAK2 | |
| SCHEMBL24030249 | 0.87 | NTRK1 (0.64) | NTRK1JAK2 | |
| SCHEMBL23149413 | 0.86 | NTRK1 (0.70) | NTRK1JAK2 | |
| SCHEMBL24168607 | 0.86 | NTRK1 (0.68) | NTRK1JAK2 | |
| SCHEMBL23732305 | 0.86 | NTRK1 (0.67) | NTRK1ROS1CYP2C9CYP2C19KCNH2 | |
| SCHEMBL23732308 | 0.86 | NTRK1 (0.63) | NTRK1JAK2 | |
| SCHEMBL21911499 | 0.83 | NTRK1 (0.46) | NTRK1JAK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3858834-A1 | PYRAZOLOPYRIMIDINE DERIVATIVE AS SELECTIVE TRK INHIBITOR | Shandong Luye Pharmaceutical Co., Ltd. (CN) | 2021-08-04 | — | — | EP | disclosed |