Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 1/20 | 0.42 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | EIF2AK3 | Q9NZJ5 | 4/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 5/20 | 0.35 |
| ▸ | KMO | O15229 | 1/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.35 |
| ▸ | ADK | P55263 | 1/20 | 0.34 |
| ▸ | CTSA | P10619 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL31728484 | 0.88 | PDE5A (0.46) | PDE5ALIMK1MAP4K4HSP90AA1HSP90AB1 | |
| SCHEMBL17142275 | 0.76 | PDE5A (0.51) | PDE5ALIMK1MAP4K4MAPK14HSP90AB1 | |
| SCHEMBL21331564 | 0.74 | MAPK10 (0.48) | MAPK10MAPK14HSP90AA1HSP90AB1EGFR | |
| SCHEMBL31728545 | 0.74 | DGAT1 (0.39) | LIMK1MAP4K4 | |
| SCHEMBL31728075 | 0.73 | EGFR (0.42) | PDE5ALIMK1MAP4K4MAPK10EGFR | |
| SCHEMBL31729201 | 0.72 | EGFR (0.40) | MAPK14EGFR | |
| SCHEMBL26501336 | 0.71 | PDE5A (0.56) | PDE5ALIMK1MAP4K4EGFR | |
| SCHEMBL31728942 | 0.71 | MCL1 (0.33) | PDE5ALIMK1MAP4K4EGFRPDE1B | |
| SCHEMBL21331584 | 0.70 | MAPT (0.50) | MAPK10MAPK14CTSA | |
| Hydrochloric Acid SCHEMBL28311213 | 0.70 | PDE5A (0.54) | PDE5ALIMK1MAP4K4EGFR |
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 |