Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 11/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.46 |
| ▸ | NQO2 | P16083 | 4/20 | 0.46 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.36 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL3061659 | 0.94 | ADORA2B (0.57) | ADORA2BCYP2C19CYP3A4ADORA2ANQO2 | |
| SCHEMBL3075160 | 0.92 | ADORA2B (0.56) | ADORA2BCYP2C19CYP3A4ADORA2ANQO2 | |
| SCHEMBL3071344 | 0.80 | ADORA2B (0.43) | ADORA2BCYP2C19CYP3A4ADORA2ANQO2 | |
| SCHEMBL3058845 | 0.79 | ADORA2B (0.51) | ADORA2BCYP2C19CYP3A4ADORA2ANQO2 | |
| SCHEMBL3063962 | 0.78 | ADORA2B (0.57) | ADORA2BCYP2C19CYP3A4ADORA2ANQO2 | |
| SCHEMBL3067117 | 0.78 | ADORA2B (0.57) | ADORA2BCYP2C19CYP3A4ADORA2ANQO2 | |
| SCHEMBL18039079 | 0.77 | ADORA2B (0.46) | ADORA2BCYP2C19CYP3A4ADORA2ANQO2 | |
| SCHEMBL3059217 | 0.76 | ADORA2A (0.57) | ADORA2BCYP2C19CYP3A4ADORA2ANQO2 | |
| SCHEMBL30542506 | 0.76 | ADORA2B (0.48) | ADORA2BCYP2C19CYP3A4ADORA2ANQO2 | |
| SCHEMBL21934675 | 0.76 | ADORA2B (0.48) | ADORA2BCYP2C19CYP3A4ADORA2ANQO2 |
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 | disclosed |
| WO-2007017096-A1 | PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS | LABORATORIOS ALMIRALL, S.A. (ES) | 2007-02-15 | — | — | WO | disclosed |