Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 9/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 8/20 | 0.33 |
| ▸ | ABL1 | P00519 | 8/20 | 0.33 |
| ▸ | EGFR | P00533 | 8/20 | 0.33 |
| ▸ | HCK | P08631 | 8/20 | 0.33 |
| ▸ | SRC | P12931 | 8/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 8/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 8/20 | 0.33 |
| ▸ | MTOR | P42345 | 8/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 8/20 | 0.33 |
| ▸ | EPHB4 | P54760 | 8/20 | 0.33 |
| ▸ | PRKDC | P78527 | 8/20 | 0.33 |
| ▸ | PI4KB | Q9UBF8 | 7/20 | 0.33 |
| ▸ | LIMK1 | P53667 | 3/20 | 0.33 |
| ▸ | CDC7 | O00311 | 2/20 | 0.33 |
| ▸ | PLK4 | O00444 | 2/20 | 0.33 |
| ▸ | AURKA | O14965 | 2/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.33 |
| ▸ | PIM1 | P11309 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL31728476 | 0.83 | PDE5A (0.35) | PDE5AKDRPIK3CDABL1EGFR | |
| SCHEMBL31728053 | 0.72 | PDE5A (0.44) | PDE5AKDRPIK3CDABL1EGFR | |
| SCHEMBL31729158 | 0.67 | PIK3CD (0.37) | KDRPIK3CDABL1EGFRHCK | |
| SCHEMBL31728569 | 0.67 | NQO2 (0.44) | PDE5AKDRPIK3CDABL1EGFR | |
| SCHEMBL31728534 | 0.67 | PDE5A (0.44) | PDE5AKDRPIK3CDABL1EGFR | |
| SCHEMBL31728048 | 0.67 | PDE5A (0.44) | PDE5AKDRPIK3CDABL1EGFR | |
| SCHEMBL31728914 | 0.67 | PDE5A (0.44) | PDE5AKDRPIK3CDABL1EGFR | |
| SCHEMBL31727768 | 0.65 | MAP4K4 (0.33) | PDE5AKDRLIMK1CDC7PLK4 | |
| SCHEMBL31727913 | 0.64 | PDE5A (0.37) | PDE5AKDRPIK3CDABL1EGFR | |
| SCHEMBL19877741 | 0.64 | PDE5A (0.44) | PDE5AKDRPIK3CDABL1EGFR |
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 |