Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 4/20 | 0.44 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.44 |
| ▸ | ADK | P55263 | 2/20 | 0.43 |
| ▸ | CLK1 | P49759 | 2/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.40 |
| ▸ | ABL1 | P00519 | 2/20 | 0.40 |
| ▸ | EGFR | P00533 | 2/20 | 0.40 |
| ▸ | SRC | P12931 | 2/20 | 0.40 |
| ▸ | KDR | P35968 | 2/20 | 0.40 |
| ▸ | ABL2 | P42684 | 1/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.40 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL31729150 | 0.84 | ADK (0.43) | MAP4K4LIMK1ADKCLK1ADORA2A | |
| SCHEMBL31728147 | 0.82 | MAP4K4 (0.47) | MAP4K4LIMK1ADKCLK1ABL1 | |
| SCHEMBL31727948 | 0.76 | PIK3CD (0.35) | MAP4K4CLK1ABL1EGFRSRC | |
| SCHEMBL31729137 | 0.75 | SRC (0.50) | MAP4K4LIMK1CLK1ABL1EGFR | |
| SCHEMBL31728394 | 0.74 | CLK1 (0.49) | MAP4K4LIMK1ADKCLK1ADORA2A | |
| SCHEMBL31728354 | 0.73 | MAP4K4 (0.54) | MAP4K4LIMK1ADKCLK1ABL1 | |
| SCHEMBL31729265 | 0.67 | MAP4K4 (0.43) | MAP4K4LIMK1ADKCLK1ABL1 | |
| SCHEMBL31728478 | 0.65 | MAP4K4 (0.51) | MAP4K4LIMK1ADKCLK1ABL1 | |
| SCHEMBL31727856 | 0.65 | MAP4K4 (0.53) | MAP4K4LIMK1CLK1ADORA2AADORA1 | |
| SCHEMBL4485048 | 0.64 | KDR (0.65) | MAP4K4LIMK1ABL1SRCKDR |
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 |