Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 5/20 | 0.48 |
| ▸ | NQO2 | P16083 | 4/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.48 |
| ▸ | ROS1 | P08922 | 2/20 | 0.47 |
| ▸ | CLK2 | P49760 | 1/20 | 0.47 |
| ▸ | CLK3 | P49761 | 1/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.47 |
| ▸ | ATR | Q13535 | 1/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.44 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.44 |
| ▸ | WNT1 | P04628 | 1/20 | 0.42 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | BCR | P11274 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | PRKACA | P17612 | 1/20 | 0.40 |
| ▸ | PRKACG | P22612 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3068200 | 0.83 | ADORA2A (0.48) | ADORA2BNQO2ADORA2AKDM4EMEN1 | |
| SCHEMBL3071344 | 0.77 | ADORA2B (0.43) | ADORA2BNQO2ADORA2ACYP1A2 | |
| SCHEMBL3059217 | 0.75 | ADORA2A (0.57) | ADORA2BNQO2ADORA2ADYRK1ACYP2A6 | |
| SCHEMBL3077195 | 0.75 | ADORA2A (0.45) | ADORA2BNQO2ADORA2ACYP1A2MEN1 | |
| SCHEMBL27735978 | 0.74 | MAP4K4 (0.53) | ABL1HPGDSKDM4EMEN1MAPT | |
| SCHEMBL3063889 | 0.73 | KDM4E (0.43) | ADORA2BADORA2ADYRK1ACYP1A2KDM4E | |
| SCHEMBL27735989 | 0.72 | CYP2A6 (0.54) | DYRK1ALOXL2CYP2A6HSP90AA1HSP90AB1 | |
| SCHEMBL28130409 | 0.71 | MAPKAPK2 (0.55) | PRKACAHPGDSKDM4EMEN1MAPT | |
| SCHEMBL1760672 | 0.71 | CYP2A6 (0.68) | DYRK1ALOXL2CYP2A6HSP90AA1HSP90AB1 | |
| SCHEMBL23851451 | 0.71 | ADORA2A (0.49) | ADORA2BADORA2ACYP1A2KDM4EMEN1 |
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 |