Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 11/20 | 0.61 |
| ▸ | EGFR | P00533 | 8/20 | 0.61 |
| ▸ | KIT | P10721 | 2/20 | 0.61 |
| ▸ | AURKA | O14965 | 2/20 | 0.53 |
| ▸ | SRC | P12931 | 2/20 | 0.53 |
| ▸ | RAF1 | P04049 | 1/20 | 0.53 |
| ▸ | MET | P08581 | 1/20 | 0.53 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.53 |
| ▸ | FLT1 | P17948 | 1/20 | 0.53 |
| ▸ | FLT4 | P35916 | 1/20 | 0.53 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.51 |
| ▸ | FBP1 | P09467 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | GAK | O14976 | 1/20 | 0.51 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.51 |
| ▸ | ABL1 | P00519 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CDK1 | P06493 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL13430289 | 0.91 | EGFR (0.56) | KDREGFRKITAURKASRC | |
| SCHEMBL13430229 | 0.84 | AURKA (0.56) | KDREGFRAURKAERBB2HDAC3 | |
| SCHEMBL13399987 | 0.77 | AURKA (0.83) | KDREGFRKITAURKASRC | |
| SCHEMBL31067695 | 0.76 | KDR (1.00) | KDREGFRKITSRCRAF1 | |
| SCHEMBL13430282 | 0.75 | AURKA (0.44) | KDREGFRAURKAFLT1FLT4 | |
| SCHEMBL13429852 | 0.75 | MAP2K1 (0.50) | KDREGFRSRCRAF1FLT1 | |
| SCHEMBL13430228 | 0.74 | AURKA (0.69) | KDREGFRAURKA | |
| SCHEMBL13430238 | 0.74 | AURKA (0.56) | EGFRAURKAKDM4E | |
| SCHEMBL13430283 | 0.74 | AURKA (0.54) | KDREGFRAURKAKDM4E | |
| SCHEMBL13430199 | 0.74 | AURKA (0.64) | KDREGFRKITAURKAKDM4E |
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-2010036629-A2 | FUSED MULTICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS | NATIONAL HEALTH RESEARCH INSTITUTES (TW) | 2010-04-01 | — | — | WO | disclosed |