Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 2/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | FRK | P42685 | 1/20 | 0.37 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.37 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.37 |
| ▸ | SLK | Q9H2G2 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.34 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.34 |
| ▸ | IRAK4 | Q9NWZ3 | 3/20 | 0.33 |
| ▸ | IKBKE | Q14164 | 3/20 | 0.33 |
| ▸ | TBK1 | Q9UHD2 | 3/20 | 0.33 |
| ▸ | BRAF | P15056 | 1/20 | 0.33 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.32 |
| ▸ | NFATC1 | O95644 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| SCHEMBL20155042 | 0.82 | MAP4K4 (0.42) | MPOMAP4K4EGFRFRKMAPK9 | |
| SCHEMBL20155687 | 0.80 | ATM (0.36) | ATMPDE4D | |
| SCHEMBL20155043 | 0.72 | LRRK2 (0.34) | MAP4K4EGFRFRKMAPK9CSNK1D | |
| SCHEMBL3348756 | 0.72 | MPO (0.46) | MPOMAP4K4EGFRFRKMAPK9 | |
| SCHEMBL21631825 | 0.70 | PTPN11 (0.41) | MPOMAP4K4EGFRFRKMAPK9 | |
| SCHEMBL14994209 | 0.69 | PARP1 (0.37) | MPOPTPN11IRAK4MEN1KMT2A | |
| SCHEMBL2596825 | 0.68 | MAP4K4 (0.37) | MPOMAP4K4EGFRFRKMAPK9 | |
| SCHEMBL20155000 | 0.67 | ADORA2A (0.34) | MPODYRK1A | |
| SCHEMBL28237663 | 0.67 | MPO (0.46) | MPOIRAK4KMT2A | |
| SCHEMBL14909620 | 0.67 | ALDH1A1 (0.43) | MPOIRAK4MEN1KMT2A |
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-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 |