Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 2/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.45 |
| ▸ | KDR | P35968 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | TTBK1 | Q5TCY1 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17683138 | 1.00 | ROCK1 (0.45) | ROCK1CYP11B1CYP11B2KDRMAPT | |
| SCHEMBL17683289 | 0.88 | NR3C1 (0.43) | ROCK1CYP11B1CYP11B2KDRMAPT | |
| SCHEMBL5096332 | 0.83 | ROCK1 (0.42) | ROCK1CYP11B1CYP11B2KDRMAPT | |
| SCHEMBL5102342 | 0.80 | ROCK1 (0.70) | ROCK1MAPTLMNATSHRHSD17B10 | |
| SCHEMBL17683111 | 0.79 | LRRK2 (0.42) | CYP11B2KDRMAPTLMNAGAA | |
| SCHEMBL3824181 | 0.79 | MKNK1 (0.48) | ROCK1CYP11B1CYP11B2MAPTLMNA | |
| SCHEMBL17683145 | 0.78 | CYP11B1 (0.43) | ROCK1CYP11B1CYP11B2KDRMAPT | |
| SCHEMBL30459760 | 0.78 | CYP11B1 (0.43) | ROCK1CYP11B1CYP11B2KDRMAPT | |
| SCHEMBL17683304 | 0.77 | DYRK1A (0.44) | ROCK1MAPTLMNATSHRHSD17B10 | |
| SCHEMBL5102742 | 0.75 | IRAK4 (0.46) | MAPTLMNAGAAALDH1A1SMN1; SMN2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117402143-A | EGFR inhibitor and preparation and application thereof | 上海翰森生物医药科技有限公司 | 2024-01-16 | — | — | CN | disclosed |
| CN-117069700-A | EGFR inhibitor and preparation and application thereof | 上海翰森生物医药科技有限公司 | 2023-11-17 | — | — | CN | disclosed |
| CN-111187221-B | EGFR inhibitor and preparation and application thereof | 上海翰森生物医药科技有限公司 | 2023-09-26 | — | — | CN | disclosed |
| CN-111171000-B | EGFR inhibitor and preparation and application thereof | 上海翰森生物医药科技有限公司 | 2023-09-01 | — | — | CN | disclosed |
| CN-111170999-B | EGFR inhibitor and preparation and application thereof | 上海翰森生物医药科技有限公司 | 2023-06-30 | — | — | CN | disclosed |