Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 5/20 | 0.53 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.49 |
| ▸ | DHFR | P00374 | 1/20 | 0.49 |
| ▸ | CLK1 | P49759 | 2/20 | 0.48 |
| ▸ | KDR | P35968 | 2/20 | 0.48 |
| ▸ | ABL1 | P00519 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 1/20 | 0.47 |
| ▸ | SRC | P12931 | 1/20 | 0.47 |
| ▸ | ABL2 | P42684 | 1/20 | 0.47 |
| ▸ | NUDT1 | P36639 | 4/20 | 0.46 |
| ▸ | TDO2 | P48775 | 1/20 | 0.43 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11902083 | 0.76 | MAP4K4 (0.56) | MAP4K4DHFRKDRABL1EGFR | |
| SCHEMBL31729137 | 0.76 | SRC (0.50) | MAP4K4LIMK1DHFRCLK1KDR | |
| SCHEMBL31728376 | 0.73 | MAP4K4 (0.53) | MAP4K4LIMK1DHFRCLK1KDR | |
| SCHEMBL31727856 | 0.73 | MAP4K4 (0.53) | MAP4K4LIMK1DHFRCLK1KDR | |
| SCHEMBL31728478 | 0.73 | MAP4K4 (0.51) | MAP4K4LIMK1DHFRCLK1KDR | |
| SCHEMBL31727817 | 0.73 | FYN (0.48) | MAP4K4LIMK1DHFRCLK1KDR | |
| SCHEMBL19826691 | 0.72 | MAP4K4 (0.58) | MAP4K4LIMK1DHFRCLK1KDR | |
| SCHEMBL12969821 | 0.71 | LIMK1 (0.76) | MAP4K4LIMK1DHFRCLK1KDR | |
| SCHEMBL31728028 | 0.70 | MAP4K4 (0.50) | MAP4K4LIMK1DHFRCLK1KDR | |
| SCHEMBL31728078 | 0.70 | CLK1 (0.48) | MAP4K4LIMK1DHFRCLK1 |
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 |