Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP2K1 | Q02750 | 4/20 | 0.52 |
| ▸ | RAF1 | P04049 | 2/20 | 0.52 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | AXL | P30530 | 1/20 | 0.51 |
| ▸ | SRC | P12931 | 5/20 | 0.49 |
| ▸ | KDR | P35968 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | MET | P08581 | 2/20 | 0.47 |
| ▸ | EGFR | P00533 | 1/20 | 0.47 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.45 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28959214 | 1.00 | MAP2K1 (0.52) | MAP2K1RAF1MAPK3MAPK1AXL | |
| SCHEMBL28959210 | 0.93 | AXL (0.54) | MAP2K1RAF1MAPK3MAPK1AXL | |
| SCHEMBL28965139 | 0.91 | MAP2K1 (0.52) | MAP2K1RAF1MAPK3MAPK1AXL | |
| SCHEMBL30017995 | 0.91 | MAP2K1 (0.52) | MAP2K1RAF1MAPK3MAPK1AXL | |
| SCHEMBL28959203 | 0.90 | ALDH1A1 (0.57) | MAP2K1RAF1MAPK3MAPK1AXL | |
| SCHEMBL30017764 | 0.90 | ALDH1A1 (0.57) | MAP2K1RAF1MAPK3MAPK1AXL | |
| SCHEMBL30017460 | 0.90 | MAP2K1 (0.51) | MAP2K1RAF1MAPK3MAPK1AXL | |
| SCHEMBL28959167 | 0.90 | MAP2K1 (0.51) | MAP2K1RAF1MAPK3MAPK1AXL | |
| SCHEMBL30017307 | 0.89 | EGFR (0.56) | MAP2K1RAF1MAPK3MAPK1AXL | |
| SCHEMBL28959189 | 0.88 | ALDH1A1 (0.54) | MAP2K1RAF1MAPK3MAPK1AXL |
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 |
|---|---|---|---|---|---|---|---|
| CN-115403557-A | Quinoline and quinazoline compounds as fourth-generation EGFR (epidermal growth factor receptor) inhibitor and application thereof | 华东理工大学 | 2022-11-29 | — | — | CN | disclosed |