Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 19/20 | 0.36 |
| ▸ | EGFR | P00533 | 11/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.34 |
| ▸ | MET | P08581 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23096277 | 0.81 | ERBB2 (0.44) | ERBB2EGFR | |
| SCHEMBL23096444 | 0.81 | ERBB2 (0.44) | ERBB2EGFR | |
| SCHEMBL21561502 | 0.80 | ERBB2 (0.59) | ERBB2EGFRLCKKDR | |
| SCHEMBL23096273 | 0.78 | ERBB2 (0.46) | ERBB2EGFR | |
| SCHEMBL25085081 | 0.78 | ERBB2 (0.44) | ERBB2EGFRLCK | |
| SCHEMBL25085385 | 0.77 | ERBB2 (0.44) | ERBB2EGFR | |
| SCHEMBL23096264 | 0.75 | ERBB2 (0.41) | ERBB2EGFR | |
| SCHEMBL23096456 | 0.73 | ERBB2 (0.44) | ERBB2EGFR | |
| SCHEMBL21561499 | 0.71 | ERBB2 (0.58) | ERBB2EGFRLCKKDR | |
| SCHEMBL21561484 | 0.67 | EGFR (0.67) | ERBB2EGFRLCKKDR |
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 |
|---|---|---|---|---|---|---|---|
| EP-3792263-A1 | PYRROLO[2,1-F][1,2,4]TRIAZINE DERIVATIVES SERVING AS SELECTIVE HER2 INHIBITORS AND APPLICATION THEREOF | Medshine Discovery Inc. (CN) | 2021-03-17 | — | — | EP | disclosed |