Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 19/20 | 0.53 |
| ▸ | INSR | P06213 | 2/20 | 0.43 |
| ▸ | IGF1R | P08069 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18369607 | 0.87 | EGFR (0.51) | EGFRINSRIGF1RKCNH2ALK | |
| SCHEMBL20578395 | 0.85 | EGFR (0.73) | EGFRINSRIGF1RKCNH2 | |
| SCHEMBL18359243 | 0.85 | EGFR (0.73) | EGFRINSRIGF1RKCNH2 | |
| SCHEMBL17059329 | 0.84 | EGFR (0.50) | EGFRINSRIGF1RKCNH2ALK | |
| SCHEMBL17059287 | 0.81 | EGFR (0.80) | EGFR | |
| SCHEMBL17059313 | 0.81 | EGFR (0.55) | EGFRINSRIGF1R | |
| SCHEMBL17059293 | 0.79 | EGFR (0.78) | EGFRINSRIGF1RKCNH2 | |
| SCHEMBL17059332 | 0.77 | EGFR (0.53) | EGFRINSRIGF1RKCNH2 | |
| SCHEMBL28383483 | 0.72 | EGFR (0.67) | EGFRINSRIGF1RKCNH2ALK | |
| SCHEMBL17059292 | 0.72 | EGFR (0.78) | EGFRIGF1RKCNH2 |
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-2015127872-A1 | 2,4-DISUBSTITUTED PHENYLENE-1,5-DIAMINE DERIVATIVES AND APPLICATIONS THEREOF, AND PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICALLY ACCEPTABLE COMPOSITIONS PREPARED THEREFROM | 上海海雁医药科技有限公司 | 2015-09-03 | — | — | WO | disclosed |