Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4D | Q08499 | 4/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | TYK2 | P29597 | 1/20 | 0.34 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | APEX1 | P27695 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20155612 | 0.75 | LMNA (0.34) | PDE4DJAK2TYK2LMNACYP3A4 | |
| SCHEMBL26921636 | 0.72 | PTPN11 (0.35) | PDE4DLRRK2PTPN11 | |
| SCHEMBL17873844 | 0.72 | ADORA2A (0.40) | PTPN11LMNACYP3A4MAPTAPEX1 | |
| SCHEMBL29993671 | 0.71 | LRRK2 (0.34) | PDE4DLRRK2PTPN11 | |
| SCHEMBL24035856 | 0.68 | ACACB (0.34) | LMNACYP3A4MAPTAPEX1MAPK1 | |
| SCHEMBL20155347 | 0.68 | MAT2A (0.38) | PDE4DPTPN11LMNACYP3A4MAPT | |
| SCHEMBL2596927 | 0.67 | PDE4D (0.39) | PDE4D | |
| SCHEMBL2077005 | 0.66 | ABL1 (0.46) | PDE4DLRRK2 | |
| SCHEMBL6119305 | 0.66 | JAK2 (0.56) | PDE4DJAK2TYK2LMNACYP3A4 | |
| SCHEMBL2075692 | 0.65 | ABL1 (0.48) | LRRK2 |
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 |