Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 3/20 | 0.43 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | CLK1 | P49759 | 2/20 | 0.41 |
| ▸ | ADK | P55263 | 2/20 | 0.40 |
| ▸ | ABL1 | P00519 | 2/20 | 0.40 |
| ▸ | EGFR | P00533 | 2/20 | 0.40 |
| ▸ | SRC | P12931 | 2/20 | 0.40 |
| ▸ | KDR | P35968 | 2/20 | 0.40 |
| ▸ | DHPS | P49366 | 2/20 | 0.40 |
| ▸ | ABL2 | P42684 | 1/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.40 |
| ▸ | HCK | P08631 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.40 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.40 |
| ▸ | PRKDC | P78527 | 1/20 | 0.40 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL31729150 | 0.84 | ADK (0.43) | MAP4K4LIMK1FYNCLK1ADK | |
| SCHEMBL31728147 | 0.82 | MAP4K4 (0.47) | MAP4K4LIMK1CLK1ADKABL1 | |
| SCHEMBL31727817 | 0.80 | FYN (0.48) | MAP4K4LIMK1FYNCLK1ABL1 | |
| SCHEMBL31727952 | 0.80 | EIF2AK3 (0.42) | MAP4K4LIMK1ABL1EGFRSRC | |
| SCHEMBL31729157 | 0.79 | PDE5A (0.39) | FYNCLK1ABL1EGFRSRC | |
| SCHEMBL31728910 | 0.79 | FYN (0.45) | MAP4K4LIMK1FYNCLK1ADK | |
| SCHEMBL31729192 | 0.77 | PIK3CD (0.34) | MAP4K4LIMK1CLK1ADKABL1 | |
| SCHEMBL31728078 | 0.77 | CLK1 (0.48) | MAP4K4LIMK1FYNCLK1ADK | |
| SCHEMBL31728478 | 0.75 | MAP4K4 (0.51) | MAP4K4LIMK1CLK1ADKABL1 | |
| SCHEMBL31729145 | 0.72 | PDE5A (0.44) | MAP4K4LIMK1CLK1ABL1EGFR |
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 |