Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 17/20 | 0.59 |
| ▸ | ADORA2A | P29274 | 16/20 | 0.59 |
| ▸ | ADORA1 | P30542 | 14/20 | 0.59 |
| ▸ | ADORA3 | P0DMS8 | 10/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | CACNA1B | Q00975 | 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 | |
|---|---|---|---|---|
| SCHEMBL27736027 | 0.84 | ADORA2B (0.56) | ADORA2BADORA2AADORA1ADORA3CYP3A4 | |
| SCHEMBL27735979 | 0.82 | ADORA2B (0.53) | ADORA2BADORA2AADORA1ADORA3CYP3A4 | |
| SCHEMBL27735973 | 0.76 | ALDH1A1 (0.38) | ADORA2BADORA2AADORA1ADORA3CYP3A4 | |
| SCHEMBL3069547 | 0.74 | ADORA2B (1.00) | ADORA2BADORA2AADORA1ADORA3CYP3A4 | |
| SCHEMBL3066805 | 0.74 | ADORA2B (1.00) | ADORA2BADORA2AADORA1ADORA3CYP3A4 | |
| SCHEMBL3063475 | 0.73 | ADORA2B (0.58) | ADORA2BADORA2AADORA1ADORA3CYP3A4 | |
| SCHEMBL3061924 | 0.72 | ADORA2B (0.76) | ADORA2BADORA2AADORA1ADORA3CYP3A4 | |
| SCHEMBL3076172 | 0.72 | ADORA2B (1.00) | ADORA2BADORA2AADORA1ADORA3CYP3A4 | |
| SCHEMBL3064591 | 0.71 | ADORA2B (1.00) | ADORA2BADORA2AADORA1ADORA3CYP3A4 | |
| SCHEMBL4697611 | 0.70 | ADORA2B (0.56) | ADORA2BADORA2AADORA1ADORA3CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-7790728-B2 | Pyrazine derivatives useful as adenosine receptor antagonists | LABORATORIOS ALMIRALL, S.A. (ES) | 2010-09-07 | — | — | US | claimed |
| CN-101268064-A | Pyrazine derivatives useful as adenosine receptor antagonists | ALMIRALL LAB (ES) | 2008-09-17 | — | — | CN | claimed |
| CN-101268064-A | Pyrazine derivatives useful as adenosine receptor antagonists | ALMIRALL LAB (ES) | 2008-09-17 | — | — | CN | disclosed |