Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 5/20 | 0.48 |
| ▸ | RET | P07949 | 3/20 | 0.48 |
| ▸ | KIF5B | P33176 | 3/20 | 0.48 |
| ▸ | EGFR | P00533 | 12/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | FLT1 | P17948 | 3/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.42 |
| ▸ | FLT4 | P35916 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL19885271 | 0.92 | KDR (0.54) | KDRRETKIF5BEGFRKCNH2 | |
| SCHEMBL19124213 | 0.89 | KCNH2 (0.55) | EGFRKCNH2ERBB2CYP2D6 | |
| SCHEMBL19885289 | 0.89 | KDR (0.61) | KDRRETKIF5BEGFRKCNH2 | |
| SCHEMBL19100259 | 0.85 | EGFR (0.44) | KDRRETKIF5BEGFRKCNH2 | |
| SCHEMBL19125882 | 0.84 | KDR (0.43) | KDRRETKIF5BEGFRKCNH2 | |
| SCHEMBL19100062 | 0.83 | EGFR (0.53) | KDRRETEGFRKCNH2ERBB2 | |
| SCHEMBL19126094 | 0.83 | KDR (0.52) | KDRRETKIF5BEGFRERBB2 | |
| SCHEMBL18012083 | 0.81 | KCNH2 (0.63) | KDREGFRKCNH2ERBB2CYP2D6 | |
| SCHEMBL18012084 | 0.79 | ERBB2 (0.70) | KDRRETKIF5BEGFRKCNH2 | |
| SCHEMBL19885290 | 0.79 | KDR (0.58) | KDRRETKIF5BEGFRFLT1 |
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-2017117680-A1 | NOVEL FLUORINATED QUINAZOLINE DERIVATIVES AS EGFR INHIBITORS | TRILLIUM THERAPEUTICS INC. (CA) | 2017-07-13 | — | — | WO | disclosed |