Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | SCN4A | P35499 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.38 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.38 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 7/20 | 0.37 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.36 |
| ▸ | LIMK1 | P53667 | 2/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.36 |
| ▸ | CLK1 | P49759 | 2/20 | 0.35 |
| ▸ | PTPN11 | Q06124 | 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 | |
|---|---|---|---|---|
| SCHEMBL31729221 | 0.81 | DGAT1 (0.41) | DGAT1CYP2D6MAOAMAPK1ADRA1A | |
| SCHEMBL31728633 | 0.76 | MAP4K4 (0.41) | DGAT1CYP2D6MAOAMAPK1ADRA1A | |
| SCHEMBL30207675 | 0.75 | PTPN11 (0.38) | MAPK1NUDT1PTPN11 | |
| SCHEMBL31728253 | 0.74 | PDE5A (0.42) | MAP4K4LIMK1 | |
| SCHEMBL31727770 | 0.73 | PTPN11 (0.39) | DGAT1PTPN11 | |
| SCHEMBL31727897 | 0.71 | LIMK1 (0.36) | MAP4K4LIMK1 | |
| SCHEMBL31727873 | 0.70 | SMN1; SMN2 (0.40) | DGAT1CYP2D6MAOAMAPK1ADRA1A | |
| SCHEMBL2499259 | 0.70 | KMT2A (0.43) | CYP2D6MAOAMAPK1ADRA1ASCN4A | |
| SCHEMBL31728484 | 0.69 | PDE5A (0.46) | CYP2D6MAPK1MAP4K4LIMK1CLK1 | |
| SCHEMBL2775914 | 0.69 | MAP4K4 (0.44) | MAP4K4LIMK1CLK1 |
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 |