Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP2K4 | P45985 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 2/20 | 0.33 |
| ▸ | BRD4 | O60885 | 2/20 | 0.33 |
| ▸ | RET | P07949 | 1/20 | 0.33 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.32 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.32 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.32 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.31 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.31 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.31 |
| ▸ | F12 | P00748 | 3/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.31 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.31 |
| ▸ | ABL1 | P00519 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | HCK | P08631 | 1/20 | 0.31 |
| ▸ | SRC | P12931 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 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 | |
|---|---|---|---|---|
| SCHEMBL29190565 | 0.91 | NR1H2 (0.34) | MAP2K4NR1H2BRD4PDGFRACDK5 | |
| SCHEMBL1316854 | 0.86 | PDGFRA (0.42) | MAP2K4PDGFRACDK5TYRO3PDPK1 | |
| SCHEMBL1321196 | 0.83 | MAP2K4 (0.39) | MAP2K4 | |
| SCHEMBL23559619 | 0.83 | MAP2K4 (0.37) | MAP2K4BRD4RET | |
| SCHEMBL29139296 | 0.83 | MAP2K4 (0.43) | MAP2K4NR1H2BRD4RORC | |
| Potassium Ion SCHEMBL1317651 | 0.82 | MAP2K4 (0.39) | MAP2K4 | |
| SCHEMBL30833809 | 0.82 | ELANE (0.41) | MAP2K4BRD4GABRG2GABRB3GABRA5 | |
| SCHEMBL426350 | 0.81 | NR1H2 (0.42) | MAP2K4NR1H2KDRBRD4RET | |
| SCHEMBL3516297 | 0.81 | ELANE (0.35) | MAP2K4NR1H2BRD4PDPK1CHEK1 | |
| SCHEMBL6168961 | 0.80 | NR1H2 (0.41) | MAP2K4NR1H2KDRBRD4RET |
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-113896744-B | Selective EGFR inhibitor | 成都先导药物开发股份有限公司 | 2024-04-16 | — | — | CN | disclosed |