Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 2/20 | 0.40 |
| ▸ | STK17A | Q9UEE5 | 2/20 | 0.38 |
| ▸ | STK17B | O94768 | 1/20 | 0.38 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.37 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.37 |
| ▸ | ARNT | P27540 | 2/20 | 0.37 |
| ▸ | EPAS1 | Q99814 | 2/20 | 0.37 |
| ▸ | MAPK9 | P45984 | 3/20 | 0.36 |
| ▸ | MAPK10 | P53779 | 3/20 | 0.36 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.36 |
| ▸ | ULK1 | O75385 | 1/20 | 0.36 |
| ▸ | CTSC | P53634 | 2/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.36 |
| ▸ | CDK2 | P24941 | 2/20 | 0.36 |
| ▸ | CCNK | O75909 | 1/20 | 0.36 |
| ▸ | CDK9 | P50750 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30948628 | 1.00 | BRD4 (0.40) | BRD4STK17ASTK17BALKABCG2 | |
| SCHEMBL29253659 | 0.90 | CDK1 (0.41) | STK17AABCG2CDK2MEN1CYP1A2 | |
| SCHEMBL30948587 | 0.90 | CDK1 (0.41) | STK17AABCG2CDK2MEN1CYP1A2 | |
| SCHEMBL30948609 | 0.89 | ABCG2 (0.41) | BRD4STK17ASTK17BALKABCG2 | |
| SCHEMBL28649541 | 0.86 | EGFR (0.47) | BRD4STK17ASTK17BALKULK1 | |
| SCHEMBL22520159 | 0.81 | EGFR (0.44) | BRD4ALKMAPK9MAPK10 | |
| SCHEMBL28665507 | 0.81 | MAPK9 (0.46) | BRD4ALKMAPK9MAPK10ULK1 | |
| SCHEMBL28667884 | 0.79 | EGFR (0.42) | BRD4ALKABCG2ULK1CCNA2 | |
| SCHEMBL28650090 | 0.76 | EGFR (0.48) | — | |
| SCHEMBL30833749 | 0.75 | MAPK9 (0.47) | BRD4STK17ASTK17BALKABCG2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113677680-A | EGFR inhibitor and composition and application thereof | 贝达药业股份有限公司 | 2021-11-19 | — | — | CN | disclosed |