Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIMK1 | P53667 | 4/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | THRA | P10827 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | ADK | P55263 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.32 |
| ▸ | USP7 | Q93009 | 1/20 | 0.32 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.32 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.32 |
| ▸ | PRKDC | P78527 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL31729241 | 0.82 | IDO1 (0.36) | LIMK1HSP90AA1ALDH1A1IDO1ADK | |
| SCHEMBL31728942 | 0.79 | MCL1 (0.33) | LIMK1MAP4K4 | |
| SCHEMBL31729240 | 0.78 | PIK3CD (0.37) | LIMK1ALDH1A1IDO1KDM4ECNR2 | |
| SCHEMBL31729201 | 0.77 | EGFR (0.40) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL31728730 | 0.77 | PDE5A (0.36) | LIMK1ALDH1A1IDO1ADKTGFBR1 | |
| SCHEMBL31729134 | 0.76 | GSK3B (0.41) | LIMK1HSP90AA1ALDH1A1KDM4EMAP4K4 | |
| SCHEMBL31728354 | 0.74 | MAP4K4 (0.54) | LIMK1ADKMAP4K4 | |
| SCHEMBL31727894 | 0.73 | PIK3CD (0.37) | LIMK1ALDH1A1IDO1CNR2PIK3CD | |
| SCHEMBL31728623 | 0.72 | SMN1; SMN2 (0.39) | LIMK1ALDH1A1IDO1ADKTGFBR1 | |
| SCHEMBL31728545 | 0.71 | DGAT1 (0.39) | LIMK1MAP4K4 |
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 |