Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 18/20 | 0.52 |
| ▸ | EGFR | P00533 | 17/20 | 0.52 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.45 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29638108 | 0.92 | EGFR (0.52) | ERBB2EGFRERBB3ERBB4KCNH2 | |
| SCHEMBL29638113 | 0.87 | EGFR (0.53) | ERBB2EGFRERBB3ERBB4 | |
| SCHEMBL29638112 | 0.82 | MAPKAPK2 (0.49) | EGFR | |
| SCHEMBL29638121 | 0.79 | ERBB2 (0.52) | ERBB2EGFR | |
| SCHEMBL30213757 | 0.75 | EGFR (0.55) | ERBB2EGFRERBB3ERBB4KCNH2 | |
| SCHEMBL28911198 | 0.74 | EGFR (0.55) | ERBB2EGFRERBB3ERBB4KCNH2 | |
| SCHEMBL30213859 | 0.71 | EGFR (0.57) | ERBB2EGFRKCNH2 | |
| SCHEMBL2519205 | 0.71 | ERBB2 (0.83) | ERBB2EGFRERBB3ERBB4KCNH2 | |
| SCHEMBL28551800 | 0.70 | EGFR (0.57) | ERBB2EGFRERBB3ERBB4KCNH2 | |
| SCHEMBL29638106 | 0.69 | EGFR (0.48) | ERBB2EGFRERBB3ERBB4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110950871-B | 2-substituted-4-arylamino pyrazolotriazine derivative and application thereof in preparing antitumor drugs | 陕西师范大学 | 2022-05-17 | — | — | CN | claimed |
| CN-110950871-B | 2-substituted-4-arylamino pyrazolotriazine derivative and application thereof in preparing antitumor drugs | 陕西师范大学 | 2022-05-17 | — | — | CN | disclosed |