Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.49 |
| ▸ | ERBB2 | P04626 | 15/20 | 0.44 |
| ▸ | EGFR | P00533 | 10/20 | 0.41 |
| ▸ | NQO2 | P16083 | 1/20 | 0.41 |
| ▸ | FECH | P22830 | 1/20 | 0.41 |
| ▸ | MYH14 | Q7Z406 | 1/20 | 0.41 |
| ▸ | RIPK3 | Q9Y572 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL23939402 | 0.92 | AAK1 (0.52) | AAK1ERBB2EGFRNQO2FECH | |
| SCHEMBL21561522 | 0.88 | AAK1 (0.55) | AAK1ERBB2EGFR | |
| SCHEMBL27440726 | 0.88 | AAK1 (0.55) | AAK1ERBB2EGFR | |
| SCHEMBL23939410 | 0.88 | AAK1 (0.55) | AAK1ERBB2EGFR | |
| SCHEMBL27440712 | 0.88 | AAK1 (0.55) | AAK1ERBB2EGFR | |
| SCHEMBL21561496 | 0.86 | AAK1 (0.66) | AAK1ERBB2EGFR | |
| SCHEMBL23939369 | 0.86 | AAK1 (0.53) | AAK1ERBB2EGFR | |
| SCHEMBL25085417 | 0.86 | AAK1 (0.53) | AAK1ERBB2EGFR | |
| SCHEMBL23939405 | 0.85 | AAK1 (0.53) | AAK1ERBB2EGFRNQO2FECH | |
| SCHEMBL21561473 | 0.83 | ERBB2 (0.53) | AAK1ERBB2EGFRNQO2FECH |
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 |