Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ELANE | P08246 | 5/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | GFER | P55789 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22660298 | 0.98 | ALDH1A1 (0.39) | ALDH1A1MAPTGAAPOLBL3MBTL1 | |
| SCHEMBL2977139 | 0.82 | BLM (0.41) | ALDH1A1MAPTGAAPOLBELANE | |
| SCHEMBL2977137 | 0.82 | BLM (0.41) | ALDH1A1MAPTGAAPOLBELANE | |
| SCHEMBL508802 | 0.80 | MAPT (0.34) | ALDH1A1MAPTGAAPOLBL3MBTL1 | |
| SCHEMBL508801 | 0.80 | MAPT (0.34) | ALDH1A1MAPTGAAPOLBL3MBTL1 | |
| SCHEMBL10188909 | 0.80 | ALDH1A1 (0.36) | ALDH1A1MAPTGAAPOLBL3MBTL1 | |
| SCHEMBL2972245 | 0.80 | CYP1A2 (0.41) | ALDH1A1MAPTGAAPOLBL3MBTL1 | |
| SCHEMBL2972244 | 0.80 | CYP1A2 (0.41) | ALDH1A1MAPTGAAPOLBL3MBTL1 | |
| SCHEMBL16653865 | 0.80 | L3MBTL1 (0.42) | ALDH1A1MAPTGAAPOLBL3MBTL1 | |
| SCHEMBL24306 | 0.80 | CYP1A2 (0.41) | ALDH1A1MAPTGAAPOLBL3MBTL1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020228635-A1 | EGFR KINASE INHIBITOR AND APPLICATION THEREOF IN PREPARING ANTI-CANCER DRUG | 浙江大学 | 2020-11-19 | — | — | WO | claimed |
| CN-111909101-B | EGFR kinase inhibitor and application thereof in preparation of anti-cancer drugs | 浙江大学 | 2022-07-19 | — | — | CN | disclosed |
| WO-2020228635-A1 | EGFR KINASE INHIBITOR AND APPLICATION THEREOF IN PREPARING ANTI-CANCER DRUG | 浙江大学 | 2020-11-19 | — | — | WO | disclosed |
| CN-111909101-A | EGFR kinase inhibitor and application thereof in preparation of anti-cancer drugs | 浙江大学 | 2020-11-10 | — | — | CN | disclosed |