Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.42 |
| ▸ | GRM5 | P41594 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | XIAP | P98170 | 1/20 | 0.36 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.35 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.35 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3058442 | 0.91 | KDM4E (0.41) | CYP3A4CYP2C19ADORA2BGRM5KDM4E | |
| SCHEMBL3074203 | 0.89 | CYP11B2 (0.43) | CYP3A4CYP2C19ADORA2BGRM5KDM4E | |
| SCHEMBL3066885 | 0.85 | ADORA2B (0.42) | CYP3A4CYP2C19ADORA2BGRM5KDM4E | |
| SCHEMBL3068229 | 0.85 | ADORA2B (0.47) | CYP3A4CYP2C19ADORA2BKDM4EALDH1A1 | |
| SCHEMBL3058845 | 0.84 | ADORA2B (0.51) | CYP3A4CYP2C19ADORA2BKDM4EALDH1A1 | |
| SCHEMBL3058556 | 0.78 | ADORA2B (0.47) | CYP3A4CYP2C19ADORA2BKDM4EALDH1A1 | |
| SCHEMBL13090347 | 0.73 | ADORA2B (0.49) | CYP3A4CYP2C19ADORA2BALDH1A1CYP2A6 | |
| SCHEMBL3061659 | 0.73 | ADORA2B (0.57) | CYP3A4CYP2C19ADORA2BKDM4EALDH1A1 | |
| SCHEMBL21934675 | 0.73 | ADORA2B (0.48) | CYP3A4CYP2C19ADORA2BKDM4EALDH1A1 | |
| SCHEMBL30542506 | 0.73 | ADORA2B (0.48) | CYP3A4CYP2C19ADORA2BKDM4EALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100273757-A1 | PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS | LABORATORIOS ALMIRALL, S.A. | 2010-10-28 | — | — | US | disclosed |
| US-7790728-B2 | Pyrazine derivatives useful as adenosine receptor antagonists | LABORATORIOS ALMIRALL, S.A. (ES) | 2010-09-07 | — | — | US | disclosed |
| US-20090042891-A1 | Pyrazine Derivatives Useful as Adenosine Receptor Antagonists | LABORATORIOS ALMIRALL, S.A. (ES) | 2009-02-12 | — | — | US | disclosed |
| 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090042891-A1 | Pyrazine Derivatives Useful as Adenosine Receptor Antagonists | ADORA2B, ADORA2A, ADORA3 | CYP3A4 1868/4885CYP2C19 1218/4885ADORA2B 1/4885 |
| US-20100273757-A1 | PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS | ADORA2B, ADORA2A, ADORA1 | CYP3A4 857/4885CYP2C19 466/4885ADORA2B 1/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.