Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.36 |
| ▸ | MPO | P05164 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | KRAS | P01116 | 1/20 | 0.33 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.33 |
| ▸ | FEN1 | P39748 | 1/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.31 |
| ▸ | SRC | P12931 | 3/20 | 0.31 |
| ▸ | ABL1 | P00519 | 2/20 | 0.31 |
| ▸ | RET | P07949 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | HCK | P08631 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
| ▸ | PIK3CG | P48736 | 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 | |
|---|---|---|---|---|
| SCHEMBL31728178 | 0.83 | GRM2 (0.37) | GRM2PIK3CDMPOCYP3A4KRAS | |
| SCHEMBL31728395 | 0.82 | PDCD1 (0.35) | GRM2PIK3CDMPOCYP3A4KRAS | |
| SCHEMBL31728529 | 0.80 | SRC (0.39) | PIK3CDSRCABL1EGFRHCK | |
| SCHEMBL31728860 | 0.79 | ALOX5AP (0.37) | GRM2PIK3CDMPOCYP3A4KRAS | |
| SCHEMBL31727894 | 0.73 | PIK3CD (0.37) | PIK3CDSRCABL1RETEGFR | |
| SCHEMBL31729128 | 0.70 | PTPN11 (0.35) | PTPN11 | |
| SCHEMBL31728470 | 0.70 | MAP4K4 (0.40) | GRM2PIK3CDMPOSRCABL1 | |
| SCHEMBL27801547 | 0.67 | TSHR (0.46) | GRM2 | |
| SCHEMBL31728800 | 0.67 | CRHR1 (0.39) | PIK3CDSRCABL1EGFRHCK | |
| SCHEMBL31727816 | 0.67 | IDO1 (0.33) | PIK3CDMPOPTPN11 |
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 |