Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 18/20 | 0.53 |
| ▸ | EGFR | P00533 | 11/20 | 0.53 |
| ▸ | NQO2 | P16083 | 1/20 | 0.48 |
| ▸ | FECH | P22830 | 1/20 | 0.48 |
| ▸ | MYH14 | Q7Z406 | 1/20 | 0.48 |
| ▸ | RIPK3 | Q9Y572 | 1/20 | 0.48 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.48 |
| ▸ | LCK | P06239 | 2/20 | 0.48 |
| ▸ | CIT | O14578 | 1/20 | 0.48 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.48 |
| ▸ | GAK | O14976 | 1/20 | 0.48 |
| ▸ | STK10 | O94804 | 1/20 | 0.48 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.48 |
| ▸ | ABL1 | P00519 | 1/20 | 0.48 |
| ▸ | FYN | P06241 | 1/20 | 0.48 |
| ▸ | YES1 | P07947 | 1/20 | 0.48 |
| ▸ | LYN | P07948 | 1/20 | 0.48 |
| ▸ | RET | P07949 | 1/20 | 0.48 |
| ▸ | HCK | P08631 | 1/20 | 0.48 |
| ▸ | SRC | P12931 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL21561448 | 1.00 | ERBB2 (0.53) | ERBB2EGFRNQO2FECHMYH14 | |
| SCHEMBL21561473 | 1.00 | ERBB2 (0.53) | ERBB2EGFRNQO2FECHMYH14 | |
| SCHEMBL21561472 | 0.89 | ERBB2 (0.50) | ERBB2EGFRNQO2FECHMYH14 | |
| SCHEMBL21561449 | 0.89 | ERBB2 (0.50) | ERBB2EGFRNQO2FECHMYH14 | |
| SCHEMBL21561484 | 0.89 | EGFR (0.67) | ERBB2EGFRAAK1LCKKDR | |
| SCHEMBL21561471 | 0.89 | ERBB2 (0.51) | ERBB2EGFRNQO2FECHMYH14 | |
| SCHEMBL23096271 | 0.87 | EGFR (0.57) | ERBB2EGFRAAK1LCKCIT | |
| SCHEMBL21561500 | 0.87 | EGFR (0.57) | ERBB2EGFRAAK1LCKCIT | |
| SCHEMBL21561501 | 0.87 | ERBB2 (0.56) | ERBB2EGFRAAK1LCKCIT | |
| SCHEMBL21561457 | 0.87 | EGFR (0.57) | ERBB2EGFRAAK1LCKCIT |
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 |