Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 9/20 | 0.48 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.46 |
| ▸ | CLK1 | P49759 | 2/20 | 0.42 |
| ▸ | KDR | P35968 | 2/20 | 0.38 |
| ▸ | ADK | P55263 | 1/20 | 0.38 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | ABL2 | P42684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31727762 | 0.81 | MAP4K4 (0.48) | MAP4K4LIMK1CLK1KDRADK | |
| SCHEMBL31727978 | 0.80 | DHFR (0.51) | MAP4K4LIMK1CLK1KDRABL1 | |
| SCHEMBL31728362 | 0.78 | MAP4K4 (0.45) | MAP4K4LIMK1CLK1KDRADK | |
| SCHEMBL31728354 | 0.78 | MAP4K4 (0.54) | MAP4K4LIMK1CLK1KDRADK | |
| SCHEMBL31728787 | 0.77 | MAP4K4 (0.51) | MAP4K4LIMK1CLK1KDRADK | |
| SCHEMBL31729108 | 0.75 | MAP4K4 (0.42) | MAP4K4LIMK1CLK1KDRADK | |
| SCHEMBL31729141 | 0.74 | MAP4K4 (0.41) | MAP4K4LIMK1CLK1KDRADK | |
| SCHEMBL31728078 | 0.70 | CLK1 (0.48) | MAP4K4LIMK1CLK1ADKIKBKE | |
| SCHEMBL31728478 | 0.68 | MAP4K4 (0.51) | MAP4K4LIMK1CLK1KDRADK | |
| SCHEMBL15587530 | 0.65 | MAP4K4 (1.00) | MAP4K4 |
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-2025235874-A1 | HETEROCYCLICS AS EGFR INHIBITORS | SCHRÖDINGER, INC. (US) | 2025-11-13 | — | — | WO | disclosed |