Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACVR1 | Q04771 | 1/20 | 0.39 |
| ▸ | CSF1R | P07333 | 1/20 | 0.39 |
| ▸ | LTK | P29376 | 1/20 | 0.39 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.39 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.39 |
| ▸ | CDK7 | P50613 | 1/20 | 0.39 |
| ▸ | CDK9 | P50750 | 1/20 | 0.39 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.39 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.39 |
| ▸ | CAMK1D | Q8IU85 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.39 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.39 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.37 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.37 |
| ▸ | HTR4 | Q13639 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20673896 | 0.81 | ACVR1 (0.43) | ACVR1JAK2GRM4CYP3A4ALDH1A1 | |
| SCHEMBL23937719 | 0.75 | HTR4 (0.42) | HTR4CYP3A4CYP2D6 | |
| SCHEMBL23937736 | 0.73 | HTR4 (0.42) | HTR4CYP3A4CYP2D6 | |
| SCHEMBL20674155 | 0.70 | NPC1 (0.40) | ACVR1JAK2PLA2G7CYP3A4ALDH1A1 | |
| SCHEMBL21180241 | 0.67 | HTR4 (0.43) | HTR4CYP3A4ALDH1A1CYP2D6TSHR | |
| SCHEMBL19699834 | 0.67 | PTPN1 (0.53) | HTR4CYP3A4CYP2D6 | |
| SCHEMBL20674008 | 0.67 | GRM4 (0.41) | ACVR1JAK2PLA2G7GRM4CYP3A4 | |
| SCHEMBL23937735 | 0.67 | HTR4 (0.50) | HTR4CYP3A4CYP2D6 | |
| SCHEMBL28700587 | 0.66 | HTR4 (0.42) | HTR4CYP3A4CYP2D6 | |
| SCHEMBL13056979 | 0.66 | PIM1 (0.48) | ACVR1JAK2PLA2G7GRM4 |
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-3399968-B1 | SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE | CS PHARMATECH LTD (KY) | 2021-10-20 | — | — | EP | disclosed |