Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.33 |
| ▸ | ADK | P55263 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | CLK1 | P49759 | 4/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.32 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.32 |
| ▸ | PRKDC | P78527 | 1/20 | 0.32 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.32 |
| ▸ | HAVCR2 | Q8TDQ0 | 1/20 | 0.32 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.31 |
| ▸ | FEN1 | P39748 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL31729241 | 0.85 | IDO1 (0.36) | IDO1ALDH1A1PIK3CDADKKDM4E | |
| SCHEMBL31728390 | 0.77 | MAPT (0.40) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL31727952 | 0.76 | EIF2AK3 (0.42) | PIK3CBPIK3CGPRKDCMAP4K4 | |
| SCHEMBL31727816 | 0.74 | IDO1 (0.33) | IDO1PIK3CDMAP4K4PTPN11 | |
| SCHEMBL31728478 | 0.74 | MAP4K4 (0.51) | ADKCLK1MAP4K4 | |
| SCHEMBL31727897 | 0.72 | LIMK1 (0.36) | IDO1ALDH1A1TGFBR1PIK3CDADK | |
| SCHEMBL31728730 | 0.72 | PDE5A (0.36) | IDO1ALDH1A1TGFBR1PIK3CDADK | |
| SCHEMBL31728766 | 0.71 | PIK3CD (0.38) | IDO1ALDH1A1PIK3CDKDM4ECNR2 | |
| SCHEMBL31728545 | 0.68 | DGAT1 (0.39) | DGAT1CLK1MAP4K4PTPN11 | |
| SCHEMBL31727894 | 0.68 | PIK3CD (0.37) | IDO1ALDH1A1PIK3CDCNR2PIK3CA |
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 |