Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM1 | Q13255 | 8/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | TOP2A | P11388 | 2/20 | 0.33 |
| ▸ | TOP2B | Q02880 | 2/20 | 0.33 |
| ▸ | AURKA | O14965 | 2/20 | 0.33 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | TTK | P33981 | 1/20 | 0.32 |
| ▸ | MAP3K5 | Q99683 | 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 | |
|---|---|---|---|---|
| SCHEMBL20674172 | 0.81 | TTK (0.36) | DRD2SLC6A4TOP2ATOP2BAURKA | |
| SCHEMBL23937882 | 0.76 | GRM1 (0.36) | GRM1 | |
| SCHEMBL23937732 | 0.75 | CYP11B1 (0.36) | DRD2SLC6A4MAP3K5 | |
| SCHEMBL21959623 | 0.73 | PDE10A (0.32) | DRD2SLC6A4 | |
| SCHEMBL21958547 | 0.73 | GRM1 (0.38) | GRM1AURKA | |
| SCHEMBL23937881 | 0.73 | PARP1 (0.37) | DRD2SLC6A4AURKACDK4MAP3K5 | |
| SCHEMBL23103466 | 0.68 | GRM1 (0.38) | GRM1 | |
| SCHEMBL16167705 | 0.65 | CNR2 (0.38) | DRD2SLC6A4AURKACDK4TTK | |
| SCHEMBL23937730 | 0.64 | MEN1 (0.35) | GRM1 | |
| SCHEMBL9284579 | 0.64 | TOP2A (0.32) | TOP2ATOP2BAURKACDK4 |
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 |