Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 16/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 13/20 | 0.51 |
| ▸ | ADORA2B | P29275 | 8/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.43 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.43 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | GMNN | O75496 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1565645 | 0.84 | ADORA1 (0.70) | ADORA1ADORA2AADORA2BADORA3 | |
| SCHEMBL1566016 | 0.83 | ADORA1 (0.50) | ADORA1ADORA2AADORA2BADORA3 | |
| SCHEMBL1566166 | 0.83 | ADORA1 (0.56) | ADORA1ADORA2AADORA2BADORA3 | |
| SCHEMBL1566445 | 0.82 | ADORA1 (0.53) | ADORA1ADORA2AADORA2BADORA3 | |
| SCHEMBL1566656 | 0.82 | ADORA1 (0.58) | ADORA1ADORA2AADORA2BADORA3 | |
| SCHEMBL1567199 | 0.82 | ADORA1 (0.58) | ADORA1ADORA2AADORA2BADORA3 | |
| SCHEMBL1565447 | 0.81 | ADORA1 (0.52) | ADORA1ADORA2AADORA2BADORA3 | |
| SCHEMBL1565446 | 0.81 | ADORA1 (0.52) | ADORA1ADORA2AADORA2BADORA3 | |
| SCHEMBL7473253 | 0.81 | ADORA1 (0.76) | ADORA1ADORA2AADORA2BADORA3SLC6A3 | |
| SCHEMBL1566176 | 0.81 | ADORA1 (0.53) | ADORA1ADORA2AADORA2BADORA3 |
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-1230243-A1 | POYCYLOALKYLPURINES AS ADENOSINE RECEPTOR ANTAGONISTS | BIOGEN, INC. (US) | 2002-08-14 | — | — | EP | disclosed |
| WO-2001034610-A1 | POLYCYCLOALKYLPURINES AS ADENOSINE RECEPTOR ANTAGONISTS | BIOGEN, INC. (US) | 2001-05-17 | — | — | WO | disclosed |