Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 3/20 | 0.36 |
| ▸ | ABL1 | P00519 | 3/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.35 |
| ▸ | EGFR | P00533 | 3/20 | 0.34 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.32 |
| ▸ | BRAF | P15056 | 2/20 | 0.32 |
| ▸ | MKNK1 | Q9BUB5 | 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 | |
|---|---|---|---|---|
| SCHEMBL31032965 | 0.80 | KDR (0.41) | KDRABL1SIGMAR1EGFRERBB2 | |
| SCHEMBL31032943 | 0.79 | SIGMAR1 (0.41) | KDRABL1SIGMAR1EGFRERBB2 | |
| SCHEMBL31320118 | 0.76 | ABL1 (0.41) | KDRABL1SIGMAR1EGFRERBB2 | |
| SCHEMBL31032954 | 0.73 | GAA (0.43) | KDRABL1SIGMAR1EGFRERBB2 | |
| SCHEMBL31320136 | 0.67 | GAA (0.51) | KDRABL1GAA | |
| SCHEMBL31320125 | 0.63 | ABL1 (0.44) | ABL1MKNK2 | |
| SCHEMBL28821088 | 0.63 | TGFBR1 (0.36) | GAA | |
| SCHEMBL15164126 | 0.63 | CYP1A2 (0.31) | — | |
| SCHEMBL31320131 | 0.62 | ABL1 (0.44) | ABL1MKNK2 | |
| SCHEMBL13632472 | 0.62 | ABL1 (0.40) | KDRABL1SIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024240108-A1 | ARYL UREA PARP1 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF | 上海海和药物研究开发股份有限公司 | 2024-11-28 | — | — | WO | disclosed |