Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 1/20 | 0.46 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.45 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.45 |
| ▸ | ADK | P55263 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | FGB | P02675 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31728253 | 0.88 | PDE5A (0.42) | PDE5AMAP4K4LIMK1ADKHSP90AA1 | |
| SCHEMBL31729201 | 0.76 | EGFR (0.40) | MAPK1MAPTADORA2ASRCL3MBTL1 | |
| SCHEMBL31728942 | 0.73 | MCL1 (0.33) | PDE5AMAP4K4LIMK1CYP3A4CYP2C19 | |
| SCHEMBL26501336 | 0.72 | PDE5A (0.56) | PDE5AMAP4K4LIMK1CYP3A4PLAU | |
| SCHEMBL31728075 | 0.72 | EGFR (0.42) | PDE5AMAP4K4LIMK1ADKCYP3A4 | |
| SCHEMBL17142275 | 0.71 | PDE5A (0.51) | PDE5AMAP4K4LIMK1ADKCLK4 | |
| Hydrochloric Acid SCHEMBL28311213 | 0.70 | PDE5A (0.54) | PDE5AMAP4K4LIMK1CYP3A4PLAU | |
| SCHEMBL31727897 | 0.70 | LIMK1 (0.36) | MAP4K4LIMK1ADKALDH1A1MAPT | |
| SCHEMBL31728730 | 0.70 | PDE5A (0.36) | PDE5AMAP4K4LIMK1ADKALDH1A1 | |
| SCHEMBL31728545 | 0.69 | DGAT1 (0.39) | MAP4K4LIMK1MAPK1CYP2D6CLK1 |
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 |