Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADK | P55263 | 2/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 4/20 | 0.41 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 3/20 | 0.40 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.40 |
| ▸ | FYN | P06241 | 1/20 | 0.40 |
| ▸ | CLK1 | P49759 | 2/20 | 0.39 |
| ▸ | ABL1 | P00519 | 2/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | ABL2 | P42684 | 1/20 | 0.39 |
| ▸ | DHPS | P49366 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.39 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31728759 | 0.84 | MAP4K4 (0.44) | ADKMAP4K4LIMK1EGFRCLK1 | |
| SCHEMBL31729265 | 0.84 | MAP4K4 (0.43) | ADKMAP4K4LIMK1EGFRFYN | |
| SCHEMBL31728941 | 0.79 | EIF2AK3 (0.39) | MAP4K4EGFRERBB2ABL1SRC | |
| SCHEMBL31727817 | 0.78 | FYN (0.48) | MAP4K4LIMK1EGFRFYNCLK1 | |
| SCHEMBL31728910 | 0.77 | FYN (0.45) | ADKMAP4K4LIMK1EGFRFYN | |
| SCHEMBL31728078 | 0.75 | CLK1 (0.48) | ADKMAP4K4LIMK1FYNCLK1 | |
| SCHEMBL31727954 | 0.74 | DYRK1A (0.42) | MAP4K4LIMK1EGFRERBB2ABL1 | |
| SCHEMBL31728925 | 0.72 | SRC (0.37) | ADKMAP4K4LIMK1EGFRFYN | |
| SCHEMBL31728147 | 0.68 | MAP4K4 (0.47) | ADKMAP4K4LIMK1EGFRCLK1 | |
| SCHEMBL28751328 | 0.68 | HSD17B10 (0.48) | EGFRERBB2DHPSADORA2AADORA1 |
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 |