Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 2/20 | 0.38 |
| ▸ | SRC | P12931 | 5/20 | 0.38 |
| ▸ | EGFR | P00533 | 4/20 | 0.38 |
| ▸ | BTK | Q06187 | 2/20 | 0.37 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.36 |
| ▸ | FEN1 | P39748 | 1/20 | 0.36 |
| ▸ | RET | P07949 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 2/20 | 0.36 |
| ▸ | ABL2 | P42684 | 2/20 | 0.36 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.36 |
| ▸ | CACNB4 | O00305 | 1/20 | 0.36 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.36 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.36 |
| ▸ | CACNG3 | O60359 | 1/20 | 0.36 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.36 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.36 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31728533 | 0.92 | GPR119 (0.44) | PIK3CDSRCEGFRRETKDR | |
| SCHEMBL31729251 | 0.85 | EGFR (0.48) | EGFRBTK | |
| SCHEMBL31727899 | 0.79 | PIK3CD (0.31) | PIK3CDSRCEGFRKDRABL1 | |
| SCHEMBL31728875 | 0.79 | SLC6A4 (0.38) | PIK3CDSRCEGFRALOX5APFEN1 | |
| SCHEMBL31728840 | 0.77 | ALOX5AP (0.39) | PIK3CDSRCEGFRALOX5APFEN1 | |
| SCHEMBL22554905 | 0.72 | PIK3CD (0.42) | PIK3CDGPR119 | |
| SCHEMBL31728432 | 0.71 | ERBB2 (0.30) | KDR | |
| SCHEMBL31728366 | 0.71 | ERBB2 (0.30) | KDR | |
| SCHEMBL31727874 | 0.71 | CLK1 (0.38) | PIK3CDSRCEGFRBTKKDR | |
| SCHEMBL31727903 | 0.70 | BTK (0.31) | PIK3CDSRCEGFRBTKKDR |
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 |