Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 11/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 10/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 10/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4696000 | 0.82 | ADORA2A (0.39) | ADORA2BADORA2AADORA1ADORA3CYP1A2 | |
| SCHEMBL3069409 | 0.74 | ADORA2A (0.44) | ADORA2BADORA2AADORA1ADORA3CYP1A2 | |
| SCHEMBL3066367 | 0.73 | KDM4E (0.46) | ADORA2BADORA2AADORA1ADORA3ALDH1A1 | |
| SCHEMBL3063750 | 0.71 | ALDH1A1 (0.46) | ADORA2BADORA2AADORA1ADORA3ALDH1A1 | |
| SCHEMBL3063475 | 0.69 | ADORA2B (0.58) | ADORA2BADORA2AADORA1ADORA3CYP1A2 | |
| SCHEMBL3053817 | 0.67 | ADORA2A (0.53) | ADORA2BADORA2AADORA1CYP1A2ALDH1A1 | |
| SCHEMBL4696026 | 0.66 | ADORA2B (0.49) | ADORA2BADORA2AADORA1ADORA3CYP1A2 | |
| SCHEMBL3059217 | 0.66 | ADORA2A (0.57) | ADORA2BADORA2AADORA1CYP1A2CYP3A4 | |
| SCHEMBL3058599 | 0.64 | ADORA2B (0.57) | ADORA2BADORA2AADORA1ADORA3ALDH1A1 | |
| SCHEMBL13100306 | 0.60 | ALDH1A1 (0.51) | ADORA2BADORA2AADORA1ADORA3CYP1A2 |
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 |