Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 15/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 14/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 9/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3177423 | 0.90 | L3MBTL1 (0.40) | ADORA1ADORA2AL3MBTL1ADORA3ADORA2B | |
| SCHEMBL3172018 | 0.90 | MEN1 (0.42) | ADORA1ADORA2AADORA3ADORA2BKCNH2 | |
| SCHEMBL3163125 | 0.86 | NPC1 (0.47) | ADORA1ADORA2AADORA3ADORA2BKDM4E | |
| SCHEMBL3164709 | 0.86 | NPC1 (0.47) | ADORA1ADORA2AADORA3ADORA2BKDM4E | |
| SCHEMBL3162358 | 0.86 | ADORA2A (0.41) | ADORA1ADORA2ACYP2D6L3MBTL1ADORA3 | |
| SCHEMBL3155730 | 0.85 | KCNJ6 (0.42) | ADORA1ADORA2AADORA3ADORA2BKDM4E | |
| SCHEMBL3155863 | 0.85 | NPC1 (0.40) | ADORA1ADORA2AADORA3ADORA2BKDM4E | |
| SCHEMBL3162093 | 0.85 | ALDH1A1 (0.49) | ADORA1ADORA2AADORA3KDM4E | |
| SCHEMBL3170450 | 0.83 | KDM4E (0.51) | ADORA1ADORA2AADORA3ADORA2BKDM4E | |
| SCHEMBL3171949 | 0.83 | PARP1 (0.47) | ADORA1ADORA2AADORA3ADORA2BKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-1465631-B1 | PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE | OSI PHARM INC (US) | 2010-02-24 | — | — | EP | disclosed |