Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | JAK3 | P52333 | 5/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 4/20 | 0.36 |
| ▸ | INCENP | Q9NQS7 | 2/20 | 0.36 |
| ▸ | AURKA | O14965 | 3/20 | 0.35 |
| ▸ | CCNK | O75909 | 3/20 | 0.35 |
| ▸ | CDK12 | Q9NYV4 | 3/20 | 0.35 |
| ▸ | JAK2 | O60674 | 3/20 | 0.34 |
| ▸ | JAK1 | P23458 | 3/20 | 0.34 |
| ▸ | CIT | O14578 | 1/20 | 0.34 |
| ▸ | CSNK1D | P48730 | 2/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.33 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.33 |
| ▸ | LYN | P07948 | 1/20 | 0.33 |
| ▸ | IGF1R | P08069 | 1/20 | 0.33 |
| ▸ | MET | P08581 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL26644942 | 1.00 | BRAF (0.38) | BRAFCYP2D6CYP2C9JAK3AURKB | |
| SCHEMBL30623112 | 1.00 | BRAF (0.38) | BRAFCYP2D6CYP2C9JAK3AURKB | |
| SCHEMBL30622306 | 0.92 | MAPK14 (0.42) | JAK3AURKBINCENPAURKACCNK | |
| SCHEMBL26645246 | 0.92 | MAPK14 (0.42) | JAK3AURKBINCENPAURKACCNK | |
| SCHEMBL26645464 | 0.92 | MAPK14 (0.42) | JAK3AURKBINCENPAURKACCNK | |
| SCHEMBL30622344 | 0.92 | MAPK14 (0.42) | JAK3AURKBINCENPAURKACCNK | |
| SCHEMBL26644987 | 0.88 | BRAF (0.40) | BRAFCYP2D6CYP2C9JAK3AURKB | |
| SCHEMBL30622417 | 0.88 | BRAF (0.40) | BRAFCYP2D6CYP2C9JAK3AURKB | |
| SCHEMBL30622885 | 0.88 | BTK (0.33) | CYP2D6CYP2C9JAK3CCNKCDK12 | |
| SCHEMBL30622963 | 0.88 | BTK (0.33) | CYP2D6CYP2C9JAK3CCNKCDK12 |
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-2023213882-A1 | IRREVERSIBLE MUTEGFR INHIBITORS | BAYER AKTIENGESELLSCHAFT (DE) | 2023-11-09 | — | — | WO | disclosed |