Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 14/20 | 0.59 |
| ▸ | ADORA1 | P30542 | 12/20 | 0.59 |
| ▸ | ADORA2A | P29274 | 12/20 | 0.59 |
| ▸ | ADORA3 | P0DMS8 | 8/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | CKS1B | P61024 | 1/20 | 0.35 |
| ▸ | SKP1 | P63208 | 1/20 | 0.35 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4697611 | 0.81 | ADORA2B (0.56) | ADORA2BADORA1ADORA2AADORA3CYP1A2 | |
| SCHEMBL3063475 | 0.75 | ADORA2B (0.58) | ADORA2BADORA1ADORA2AADORA3CYP1A2 | |
| SCHEMBL3069107 | 0.74 | ADORA2B (1.00) | ADORA2BADORA1ADORA2AADORA3CYP1A2 | |
| SCHEMBL3068174 | 0.72 | ADORA2B (1.00) | ADORA2BADORA1ADORA2AADORA3CYP1A2 | |
| SCHEMBL3058626 | 0.72 | ADORA2B (1.00) | ADORA2BADORA1ADORA2AADORA3CYP1A2 | |
| SCHEMBL4697676 | 0.68 | ADORA2B (0.56) | ADORA2BADORA1ADORA2AADORA3 | |
| SCHEMBL3462227 | 0.68 | ADORA2B (0.59) | ADORA2BADORA1ADORA2AADORA3CYP1A2 | |
| SCHEMBL3076172 | 0.67 | ADORA2B (1.00) | ADORA2BADORA1ADORA2AADORA3CYP1A2 | |
| SCHEMBL4696026 | 0.67 | ADORA2B (0.49) | ADORA2BADORA1ADORA2AADORA3CYP1A2 | |
| SCHEMBL3063477 | 0.67 | MAPT (0.55) | ADORA2BADORA1ADORA2AADORA3CYP1A2 |
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 |