Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | MAT2A | P31153 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 5/20 | 0.32 |
| ▸ | BRD2 | P25440 | 2/20 | 0.32 |
| ▸ | BRD3 | Q15059 | 2/20 | 0.32 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.32 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.30 |
| ▸ | AADAT | Q8N5Z0 | 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 | |
|---|---|---|---|---|
| SCHEMBL20155093 | 0.89 | MAT2A (0.36) | ADORA2AADORA1MAT2ABRD4BRD2 | |
| SCHEMBL20155003 | 0.79 | BRD4 (0.36) | ADORA2AADORA1MAT2ABRD4 | |
| SCHEMBL20155089 | 0.76 | PSMB5 (0.31) | BRD4PSMB5 | |
| SCHEMBL20154966 | 0.73 | BRD4 (0.35) | BRD4 | |
| SCHEMBL20155118 | 0.73 | NPC1 (0.40) | MAT2ABRD4 | |
| SCHEMBL20155436 | 0.71 | TLR8 (0.41) | BRD4BRD2BRD3CREBBP | |
| SCHEMBL20155605 | 0.70 | — | — | |
| SCHEMBL20155133 | 0.69 | ADORA2A (0.37) | ADORA2A | |
| SCHEMBL20155045 | 0.69 | ALDH1A1 (0.39) | BRD4LRRK2 | |
| SCHEMBL20155529 | 0.69 | CNR2 (0.40) | BRD4 |
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 |