Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 14/20 | 0.37 |
| ▸ | EGFR | P00533 | 13/20 | 0.37 |
| ▸ | MET | P08581 | 4/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21561499 | 0.77 | ERBB2 (0.58) | ERBB2EGFRLCKKDRAAK1 | |
| SCHEMBL23096405 | 0.75 | ERBB2 (0.40) | ERBB2EGFR | |
| SCHEMBL23096422 | 0.69 | ERBB2 (0.40) | ERBB2EGFRMET | |
| SCHEMBL21561502 | 0.68 | ERBB2 (0.59) | ERBB2EGFRLCKKDRAAK1 | |
| SCHEMBL23939423 | 0.65 | AAK1 (0.63) | ERBB2EGFRMETLCKKDR | |
| SCHEMBL20194154 | 0.65 | AAK1 (0.46) | ERBB2EGFRAAK1 | |
| SCHEMBL20194179 | 0.65 | F10 (0.44) | ERBB2EGFRAAK1 | |
| SCHEMBL20194169 | 0.64 | AAK1 (0.51) | ERBB2EGFRAAK1 | |
| SCHEMBL20194237 | 0.64 | PRSS1 (0.33) | AAK1 | |
| SCHEMBL30050375 | 0.64 | ERBB2 (0.38) | ERBB2EGFR |
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 |