Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 7/20 | 0.45 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.42 |
| ▸ | CLK1 | P49759 | 2/20 | 0.41 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 2/20 | 0.39 |
| ▸ | SRC | P12931 | 2/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | ABL2 | P42684 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 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 | |
|---|---|---|---|---|
| SCHEMBL31728028 | 0.82 | MAP4K4 (0.50) | MAP4K4LIMK1CLK1DHFRKDR | |
| SCHEMBL31728376 | 0.76 | MAP4K4 (0.53) | MAP4K4LIMK1CLK1DHFRKDR | |
| SCHEMBL31727856 | 0.76 | MAP4K4 (0.53) | MAP4K4LIMK1CLK1DHFRKDR | |
| SCHEMBL31728787 | 0.71 | MAP4K4 (0.51) | MAP4K4LIMK1CLK1DHFRKDR | |
| SCHEMBL31727955 | 0.69 | MAP4K4 (0.45) | MAP4K4LIMK1CLK1DHFRKDR | |
| SCHEMBL31727887 | 0.68 | STK4 (0.53) | MAP4K4LIMK1CLK1KDRSRC | |
| SCHEMBL28045812 | 0.68 | KMT2A (0.42) | DHFRMAPTALDH1A1MEN1GAA | |
| SCHEMBL29501264 | 0.67 | SCN9A (0.53) | DHFRKDRMAPTMEN1GAA | |
| SCHEMBL31728471 | 0.67 | MAP4K4 (0.53) | MAP4K4LIMK1CLK1DHFRKDR | |
| SCHEMBL15636926 | 0.65 | MAP4K4 (0.55) | MAP4K4SCN9A |
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 |