Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 19/20 | 0.50 |
| ▸ | EGFR | P00533 | 10/20 | 0.50 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.48 |
| ▸ | NQO2 | P16083 | 1/20 | 0.46 |
| ▸ | FECH | P22830 | 1/20 | 0.46 |
| ▸ | MYH14 | Q7Z406 | 1/20 | 0.46 |
| ▸ | RIPK3 | Q9Y572 | 1/20 | 0.46 |
| ▸ | LCK | P06239 | 1/20 | 0.45 |
| ▸ | KDR | P35968 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL21561461 | 0.92 | ERBB2 (0.49) | ERBB2EGFRNQO2FECHMYH14 | |
| SCHEMBL27444061 | 0.89 | ERBB2 (0.51) | ERBB2EGFRNQO2FECHMYH14 | |
| SCHEMBL21561453 | 0.89 | ERBB2 (0.51) | ERBB2EGFRNQO2FECHMYH14 | |
| SCHEMBL21561484 | 0.86 | EGFR (0.67) | ERBB2EGFRAAK1LCKKDR | |
| SCHEMBL21561460 | 0.83 | ERBB2 (0.55) | ERBB2EGFRAAK1LCKKDR | |
| SCHEMBL23939391 | 0.83 | ERBB2 (0.57) | ERBB2EGFRNQO2FECHMYH14 | |
| SCHEMBL23939477 | 0.83 | ERBB2 (0.57) | ERBB2EGFRNQO2FECHMYH14 | |
| SCHEMBL21561478 | 0.83 | ERBB2 (0.57) | ERBB2EGFRNQO2FECHMYH14 | |
| SCHEMBL25085355 | 0.83 | ERBB2 (0.52) | ERBB2EGFRNQO2FECHMYH14 | |
| SCHEMBL23096455 | 0.82 | ERBB2 (0.51) | ERBB2EGFRNQO2FECHMYH14 |
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 |