Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL7567730 | 0.60 | ALDH1A1 (0.37) | — | |
| SCHEMBL16011482 | 0.56 | NPC1 (0.40) | — | |
| SCHEMBL6203415 | 0.56 | NPC1 (0.40) | — | |
| SCHEMBL3745723 | 0.56 | MAPK1 (0.41) | — | |
| SCHEMBL2599676 | 0.56 | ALDH1A1 (0.35) | ADORA3ADORA2AADORA1 | |
| SCHEMBL13541623 | 0.55 | ADORA3 (0.43) | ADORA3ADORA2AADORA1 | |
| SCHEMBL2425763 | 0.55 | PTGS2 (0.41) | — | |
| SCHEMBL1289875 | 0.55 | PDPK1 (0.50) | ADORA2AADORA1 | |
| SCHEMBL6284422 | 0.55 | L3MBTL1 (0.43) | — | |
| SCHEMBL3060487 | 0.55 | AGTR2 (0.37) | ADORA3ADORA2AADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2603214-A1 | HETEROARYLS AND USES THEREOF | Millennium Pharmaceuticals, Inc. (US) | 2013-06-19 | — | — | EP | disclosed |
| WO-2012021696-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-02-16 | — | — | WO | disclosed |