Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | FRK | P42685 | 1/20 | 0.42 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.42 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.42 |
| ▸ | SLK | Q9H2G2 | 1/20 | 0.42 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.40 |
| ▸ | MPO | P05164 | 2/20 | 0.38 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.37 |
| ▸ | IRAK4 | Q9NWZ3 | 3/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.32 |
| ▸ | NFATC1 | O95644 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20155044 | 0.82 | MPO (0.38) | MAP4K4EGFRFRKMAPK9CSNK1D | |
| SCHEMBL23531689 | 0.81 | PDE4D (0.43) | LRRK2MPOPDE4DPDE4BKDM4E | |
| SCHEMBL20155347 | 0.80 | MAT2A (0.38) | PTPN11PDE4DPDE4BSMN1; SMN2KDM4E | |
| SCHEMBL20155016 | 0.79 | CNR2 (0.38) | MAP4K4PDE4DIRAK4 | |
| SCHEMBL22216456 | 0.76 | ALDH1A1 (0.44) | SMN1; SMN2KDM4EALDH1A1GSK3B | |
| SCHEMBL21631825 | 0.75 | PTPN11 (0.41) | MAP4K4EGFRFRKMAPK9CSNK1D | |
| SCHEMBL25239263 | 0.75 | DGAT1 (0.33) | PDE4D | |
| SCHEMBL23386491 | 0.75 | KDR (0.43) | MAP4K4EGFRFRKMAPK9CSNK1D | |
| SCHEMBL17873844 | 0.74 | ADORA2A (0.40) | CSNK1DPTPN11SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL20155060 | 0.73 | F2RL3 (0.33) | DYRK1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115806551-A | Pyrazole-containing polycyclic derivative, pharmaceutically acceptable salt thereof, and preparation method and application thereof | 优领医药科技(香港)有限公司 | 2023-03-17 | — | — | CN | disclosed |
| WO-2018086604-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |