Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 16/20 | 0.70 |
| ▸ | PLK1 | P53350 | 3/20 | 0.46 |
| ▸ | TTK | P33981 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18369610 | 0.90 | EGFR (0.69) | EGFRTTK | |
| SCHEMBL17059331 | 0.88 | EGFR (0.58) | EGFRPLK1 | |
| SCHEMBL17059351 | 0.86 | EGFR (0.72) | EGFRTTK | |
| SCHEMBL18607001 | 0.83 | EGFR (0.51) | EGFRPLK1 | |
| SCHEMBL19336981 | 0.83 | EGFR (0.61) | EGFR | |
| SCHEMBL17059227 | 0.82 | EGFR (1.00) | EGFR | |
| SCHEMBL17059241 | 0.82 | EGFR (0.51) | EGFRTTK | |
| SCHEMBL17059329 | 0.81 | EGFR (0.50) | EGFRPLK1 | |
| SCHEMBL32681490 | 0.81 | EGFR (0.48) | EGFRPLK1 | |
| SCHEMBL18369609 | 0.80 | EGFR (0.68) | EGFR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3112364-A1 | 2,4-DISUBSTITUTED PHENYLENE-1,5-DIAMINE DERIVATIVES AND APPLICATIONS THEREOF, AND PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICALLY ACCEPTABLE COMPOSITIONS PREPARED THEREFROM | Shanghai Haiyan Pharmaceutical Technology Co. Ltd. (CN) | 2017-01-04 | — | — | EP | disclosed |
| 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 |