Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 11/20 | 0.61 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.61 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.61 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | PIM3 | Q86V86 | 4/20 | 0.35 |
| ▸ | PIM2 | Q9P1W9 | 4/20 | 0.35 |
| ▸ | PIM1 | P11309 | 3/20 | 0.35 |
| ▸ | GSK3A | P49840 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4696081 | 0.86 | ADORA2B (0.83) | ADORA2BADORA2AADORA1ADORA3CYP2C19 | |
| SCHEMBL3066892 | 0.80 | ADORA2B (0.74) | ADORA2BADORA2AADORA1ADORA3CYP2C19 | |
| SCHEMBL3068230 | 0.76 | ADORA2B (1.00) | ADORA2BADORA2AADORA1ADORA3CYP2C19 | |
| SCHEMBL3069119 | 0.70 | ADORA2B (0.89) | ADORA2BADORA2AADORA1ADORA3CYP2C19 | |
| SCHEMBL3063835 | 0.69 | ADORA2B (0.77) | ADORA2BADORA2AADORA1ADORA3CYP2C19 | |
| SCHEMBL4692857 | 0.68 | ADORA2B (0.49) | ADORA2BADORA2AADORA1ADORA3CYP2C19 | |
| SCHEMBL3064499 | 0.68 | ADORA2B (0.77) | ADORA2BADORA2AADORA1ADORA3CYP2C19 | |
| SCHEMBL3066518 | 0.67 | ADORA2B (0.75) | ADORA2BADORA2AADORA1ADORA3CYP2C19 | |
| SCHEMBL3075684 | 0.66 | ADORA2B (1.00) | ADORA2BADORA2AADORA1ADORA3CYP2C19 | |
| SCHEMBL3064297 | 0.66 | ADORA2B (0.84) | ADORA2BADORA2AADORA1ADORA3CYP2C19 |
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-1922313-A1 | PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS | Laboratorios Almirall, S.A. (ES) | 2008-05-21 | — | — | EP | claimed |
| WO-2007017096-A1 | PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS | LABORATORIOS ALMIRALL, S.A. (ES) | 2007-02-15 | — | — | WO | claimed |