Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 1/20 | 0.39 |
| ▸ | NUDT1 | P36639 | 6/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | SCN4A | P35499 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.35 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.35 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.35 |
| ▸ | PLG | P00747 | 1/20 | 0.34 |
| ▸ | F12 | P00748 | 1/20 | 0.34 |
| ▸ | F11 | P03951 | 1/20 | 0.34 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 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 | |
|---|---|---|---|---|
| SCHEMBL31728633 | 0.81 | MAP4K4 (0.41) | DGAT1NUDT1CYP2D6MAOAMAPK1 | |
| SCHEMBL31727873 | 0.81 | SMN1; SMN2 (0.40) | DGAT1NUDT1CYP2D6MAOAMAPK1 | |
| SCHEMBL31727998 | 0.74 | MAP4K4 (0.49) | DGAT1MAP4K4PTPN11 | |
| SCHEMBL31729125 | 0.73 | DGAT1 (0.38) | DGAT1NUDT1CYP2D6MAOAMAPK1 | |
| SCHEMBL31728080 | 0.72 | NOTUM (0.39) | DGAT1NUDT1 | |
| SCHEMBL31729239 | 0.72 | CNR2 (0.53) | DGAT1PTPN11 | |
| SCHEMBL31728894 | 0.72 | PTPN11 (0.41) | DGAT1NUDT1PTPN11 | |
| SCHEMBL31728779 | 0.72 | NOTUM (0.43) | DGAT1NUDT1 | |
| SCHEMBL31728623 | 0.68 | SMN1; SMN2 (0.39) | NUDT1MAP4K4PDE5ADOT1LLIMK1 | |
| SCHEMBL31728545 | 0.68 | DGAT1 (0.39) | DGAT1NUDT1CYP2D6MAOAMAPK1 |
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 |