Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 5/20 | 0.34 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.34 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.34 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | ADK | P55263 | 1/20 | 0.33 |
| ▸ | DOT1L | Q8TEK3 | 1/20 | 0.33 |
| ▸ | PTGES | O14684 | 1/20 | 0.33 |
| ▸ | LIMK1 | P53667 | 2/20 | 0.33 |
| ▸ | RET | P07949 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL31727873 | 0.87 | SMN1; SMN2 (0.40) | SMN1; SMN2PDE5AMAP4K4NUDT1DOT1L | |
| SCHEMBL31729250 | 0.77 | LRRK2 (0.40) | MAP4K4TGFBR1IDO1 | |
| SCHEMBL31728376 | 0.76 | MAP4K4 (0.53) | MAP4K4ADKLIMK1 | |
| SCHEMBL31728397 | 0.76 | IDO1 (0.34) | PDE5ANUDT1IDO1 | |
| SCHEMBL31728859 | 0.76 | MAP4K4 (0.41) | SMN1; SMN2ALDH1A1MAP4K4RET | |
| SCHEMBL22715706 | 0.74 | PDE5A (0.44) | SMN1; SMN2PDE5AMAP4K4IDO1LIMK1 | |
| SCHEMBL31727897 | 0.72 | LIMK1 (0.36) | ALDH1A1MAP4K4TGFBR1PIK3CDIDO1 | |
| SCHEMBL31728332 | 0.72 | CLK1 (0.38) | PDE5AMAP4K4 | |
| SCHEMBL31728766 | 0.71 | PIK3CD (0.38) | ALDH1A1PIK3CDIDO1LIMK1RET | |
| SCHEMBL31728633 | 0.71 | MAP4K4 (0.41) | PDE5AMAP4K4NUDT1LIMK1 |
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 |