Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 1/20 | 0.35 |
| ▸ | LIMK1 | P53667 | 4/20 | 0.33 |
| ▸ | KDR | P35968 | 4/20 | 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 |
| ▸ | PRKACA | P17612 | 2/20 | 0.33 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.33 |
| ▸ | CDK2 | P24941 | 2/20 | 0.33 |
| ▸ | MARK3 | P27448 | 2/20 | 0.33 |
| ▸ | FLT4 | P35916 | 2/20 | 0.33 |
| ▸ | CSNK1D | P48730 | 2/20 | 0.33 |
| ▸ | GSK3A | P49840 | 2/20 | 0.33 |
| ▸ | STK3 | Q13188 | 2/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.33 |
| ▸ | MARK2 | Q7KZI7 | 2/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 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 | |
|---|---|---|---|---|
| SCHEMBL31728053 | 0.90 | PDE5A (0.44) | PDE5ALIMK1KDRMAP4K4ADK | |
| SCHEMBL31728083 | 0.83 | PDE5A (0.35) | PDE5ALIMK1KDRCDC7PLK4 | |
| SCHEMBL31727768 | 0.79 | MAP4K4 (0.33) | PDE5ALIMK1KDRCDC7PLK4 | |
| SCHEMBL31728605 | 0.78 | KDR (0.35) | PDE5AKDRFLT4MAP4K4RET | |
| SCHEMBL31728812 | 0.77 | ABL1 (0.32) | PDE5AKDRABL1EGFRHCK | |
| SCHEMBL31727727 | 0.75 | PIK3CA (0.38) | MAP4K4ADKEGFRPIK3CBPIK3CG | |
| SCHEMBL31729158 | 0.73 | PIK3CD (0.37) | LIMK1KDRCDC7PLK4AURKA | |
| SCHEMBL31728534 | 0.72 | PDE5A (0.44) | PDE5ALIMK1KDRCDC7PLK4 | |
| SCHEMBL31728538 | 0.72 | AURKA (0.41) | PDE5AKDRAURKAEGFRPOLB | |
| SCHEMBL31728095 | 0.72 | NQO2 (0.38) | PDE5AKDRAURKARPS6KB1RET |
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 |