Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 20/20 | 0.67 |
| ▸ | ADORA1 | P30542 | 12/20 | 0.67 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL1489634 | 0.86 | ADORA2A (0.79) | ADORA2AADORA1KCNH2CYP3A4CYP2D6 | |
| SCHEMBL5026350 | 0.83 | ADORA2A (0.59) | ADORA2AADORA1KCNH2CYP3A4CYP2D6 | |
| SCHEMBL1490141 | 0.83 | ADORA2A (0.68) | ADORA2AADORA1KCNH2CYP3A4CYP2D6 | |
| SCHEMBL5022758 | 0.82 | ADORA2A (0.76) | ADORA2AADORA1KCNH2CYP3A4CYP2D6 | |
| SCHEMBL8244945 | 0.82 | ADORA2A (0.62) | ADORA2AADORA1KCNH2CYP3A4CYP2D6 | |
| SCHEMBL1490094 | 0.81 | ADORA2A (0.71) | ADORA2AADORA1KCNH2CYP3A4CYP2D6 | |
| SCHEMBL5022788 | 0.81 | ADORA2A (0.84) | ADORA2AADORA1KCNH2CYP3A4CYP2D6 | |
| SCHEMBL1489759 | 0.81 | ADORA2A (0.76) | ADORA2AADORA1KCNH2CYP3A4CYP2D6 | |
| SCHEMBL12831138 | 0.80 | ADORA2A (0.79) | ADORA2AADORA1KCNH2CYP3A4CYP2D6 | |
| SCHEMBL4972835 | 0.80 | ADORA2A (0.59) | ADORA2AADORA1KCNH2CYP3A4CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1976851-A2 | PHENOXY-SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | NEUROCRINE BIOSCIENCES, INC. (US) | 2008-10-08 | — | — | EP | disclosed |
| WO-2007084914-A2 | PHENOXY-SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | NEUROCRINE BIOSCIENCES, INC. (US) | 2007-07-26 | — | — | WO | disclosed |
| WO-2007084914-A2 | PHENOXY-SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | NEUROCRINE BIOSCIENCES, INC. (US) | 2007-07-26 | — | — | WO | disclosed |