Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 15/20 | 0.67 |
| ▸ | FYN | P06241 | 7/20 | 0.59 |
| ▸ | SRC | P12931 | 7/20 | 0.59 |
| ▸ | ERBB2 | P04626 | 5/20 | 0.57 |
| ▸ | ERBB4 | Q15303 | 2/20 | 0.55 |
| ▸ | BLK | P51451 | 1/20 | 0.51 |
| ▸ | BMX | P51813 | 1/20 | 0.51 |
| ▸ | JAK3 | P52333 | 1/20 | 0.51 |
| ▸ | BTK | Q06187 | 1/20 | 0.51 |
| ▸ | VCP | P55072 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL22200858 | 0.89 | EGFR (0.61) | EGFRFYNSRCERBB2ERBB4 | |
| SCHEMBL4463689 | 0.85 | EGFR (0.65) | EGFRFYNSRCERBB2ERBB4 | |
| SCHEMBL22076859 | 0.85 | EGFR (0.48) | EGFRFYNSRCERBB2 | |
| SCHEMBL20780771 | 0.84 | EGFR (0.67) | EGFRERBB2 | |
| SCHEMBL29025870 | 0.84 | EGFR (0.67) | EGFRERBB2 | |
| SCHEMBL20780983 | 0.84 | EGFR (0.57) | EGFRFYNSRCERBB2ERBB4 | |
| SCHEMBL7127185 | 0.81 | EGFR (1.00) | EGFRFYNSRCERBB2ERBB4 | |
| SCHEMBL12888225 | 0.81 | EGFR (0.62) | EGFRFYNSRCERBB2ERBB4 | |
| SCHEMBL12888646 | 0.79 | EGFR (0.67) | EGFRFYNSRCERBB2ERBB4 | |
| SCHEMBL12888131 | 0.79 | EGFR (0.59) | EGFRFYNSRCERBB2ERBB4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3677583-A1 | NITROGENOUS HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, COMPOSITION, AND APPLICATION | Shanghai Pharmaceuticals Holding Co., Ltd. (CN) | 2020-07-08 | — | — | EP | disclosed |
| WO-2019042409-A1 | NITROGENOUS HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, COMPOSITION, AND APPLICATION | 上海医药集团股份有限公司 | 2019-03-07 | — | — | WO | disclosed |