Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 4/20 | 0.45 |
| ▸ | CSNK1E | P49674 | 5/20 | 0.42 |
| ▸ | CSNK1D | P48730 | 2/20 | 0.42 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.37 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.37 |
| ▸ | MET | P08581 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | BTK | Q06187 | 4/20 | 0.35 |
| ▸ | ITK | Q08881 | 2/20 | 0.35 |
| ▸ | JAK3 | P52333 | 2/20 | 0.35 |
| ▸ | CLK2 | P49760 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30622939 | 1.00 | EGFR (0.45) | EGFRCSNK1ECSNK1DKCNK3CYP2D6 | |
| SCHEMBL26645352 | 0.90 | BTK (0.41) | EGFRCSNK1ELIMK1LIMK2BTK | |
| SCHEMBL30622371 | 0.90 | BTK (0.41) | EGFRCSNK1ELIMK1LIMK2BTK | |
| SCHEMBL26644925 | 0.89 | CSNK1E (0.46) | EGFRCSNK1ECSNK1DKCNK3LIMK1 | |
| SCHEMBL30622339 | 0.89 | CSNK1E (0.46) | EGFRCSNK1ECSNK1DKCNK3LIMK1 | |
| SCHEMBL26644870 | 0.86 | LIMK1 (0.37) | EGFRLIMK1BTKITKJAK3 | |
| SCHEMBL30622420 | 0.86 | LIMK1 (0.37) | EGFRLIMK1BTKITKJAK3 | |
| SCHEMBL30622354 | 0.85 | BTK (0.38) | EGFRCSNK1ELIMK1BTKITK | |
| SCHEMBL30622313 | 0.84 | JAK3 (0.34) | EGFRCSNK1ECSNK1DBTKITK | |
| SCHEMBL26645465 | 0.84 | JAK3 (0.34) | EGFRCSNK1ECSNK1DBTKITK |
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 |