Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.50 |
| ▸ | BRD4 | O60885 | 4/20 | 0.48 |
| ▸ | JAK2 | O60674 | 2/20 | 0.48 |
| ▸ | FGFR4 | P22455 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CDK4 | P11802 | 2/20 | 0.44 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | TNK2 | Q07912 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | PIM1 | P11309 | 1/20 | 0.43 |
| ▸ | CCND3 | P30281 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28120334 | 0.85 | BRD4 (0.51) | EGFRBRD4JAK2FGFR4CDK4 | |
| SCHEMBL18376659 | 0.84 | BRD4 (0.49) | EGFRBRD4JAK2FGFR4CDK4 | |
| SCHEMBL18377070 | 0.84 | BRD4 (0.53) | EGFRBRD4JAK2FGFR4CDK4 | |
| SCHEMBL18376657 | 0.83 | EGFR (0.49) | EGFRBRD4JAK2FGFR4CDK4 | |
| SCHEMBL29371238 | 0.83 | WEE1 (0.44) | BRD4JAK2CDK4CDK2 | |
| SCHEMBL28680561 | 0.83 | WEE1 (0.44) | BRD4JAK2CDK4CDK2 | |
| SCHEMBL18377071 | 0.82 | BRD4 (0.52) | EGFRBRD4JAK2FGFR4CDK4 | |
| SCHEMBL18376246 | 0.82 | JAK2 (0.56) | EGFRBRD4JAK2FGFR4CDK4 | |
| SCHEMBL29371334 | 0.82 | JAK2 (0.56) | EGFRBRD4JAK2FGFR4CDK4 | |
| SCHEMBL18377046 | 0.82 | BRD4 (0.63) | EGFRBRD4JAK2FGFR4CDK4 |
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-2017005137-A1 | QUINAZOLINE COMPOUND, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USES THEREOF | 吉林大学 | 2017-01-12 | — | — | WO | disclosed |