Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | MAT2A | P31153 | 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 | |
|---|---|---|---|---|
| SCHEMBL20155391 | 0.77 | LMNA (0.33) | ADORA2AADORA1 | |
| SCHEMBL20155691 | 0.73 | NPC1 (0.40) | MAT2A | |
| SCHEMBL12427536 | 0.69 | ADORA1 (0.41) | ADORA2AADORA1 | |
| SCHEMBL20155043 | 0.68 | LRRK2 (0.34) | — | |
| SCHEMBL20155000 | 0.68 | ADORA2A (0.34) | ADORA2AADORA1 | |
| SCHEMBL22057944 | 0.68 | ADORA2A (0.34) | ADORA2AADORA1 | |
| SCHEMBL20155332 | 0.67 | ADORA2A (0.36) | ADORA2AADORA1MAT2A | |
| SCHEMBL20155369 | 0.67 | KDM4E (0.33) | — | |
| SCHEMBL11060138 | 0.66 | ADORA2A (0.33) | ADORA2AADORA1 | |
| SCHEMBL20155093 | 0.66 | MAT2A (0.36) | ADORA2AADORA1MAT2A |
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 |