Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 18/20 | 0.49 |
| ▸ | EGFR | P00533 | 8/20 | 0.49 |
| ▸ | NQO2 | P16083 | 1/20 | 0.49 |
| ▸ | FECH | P22830 | 1/20 | 0.49 |
| ▸ | MYH14 | Q7Z406 | 1/20 | 0.49 |
| ▸ | RIPK3 | Q9Y572 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL25085437 | 0.80 | ERBB2 (0.50) | ERBB2EGFRNQO2FECHMYH14 | |
| SCHEMBL23096456 | 0.79 | ERBB2 (0.44) | ERBB2EGFRNQO2FECHMYH14 | |
| SCHEMBL27154054 | 0.75 | ERBB2 (0.51) | ERBB2EGFRNQO2FECHMYH14 | |
| SCHEMBL25085385 | 0.74 | ERBB2 (0.44) | ERBB2EGFRNQO2FECHMYH14 | |
| SCHEMBL23096260 | 0.74 | ERBB2 (0.57) | ERBB2EGFRNQO2FECHMYH14 | |
| SCHEMBL21561486 | 0.73 | ERBB2 (0.58) | ERBB2EGFRNQO2FECHMYH14 | |
| SCHEMBL30787598 | 0.73 | ERBB2 (0.52) | ERBB2EGFRNQO2FECHMYH14 | |
| SCHEMBL29309624 | 0.73 | ERBB2 (0.49) | ERBB2EGFRNQO2FECHMYH14 | |
| SCHEMBL21561554 | 0.73 | ERBB2 (0.54) | ERBB2EGFRNQO2FECHMYH14 | |
| SCHEMBL21561495 | 0.73 | ERBB2 (0.54) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2019214651-A1 | PYRROLO[2,1-F][1,2,4]TRIAZINE DERIVATIVES SERVING AS SELECTIVE HER2 INHIBITORS AND APPLICATION THEREOF | 南京明德新药研发有限公司 (CN) | 2019-11-14 | — | — | WO | disclosed |