Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 14/20 | 0.62 |
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.59 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.54 |
| ▸ | PDE2A | O00408 | 1/20 | 0.51 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.51 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.51 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.51 |
| ▸ | XDH | P47989 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL378879 | 0.77 | ADORA2B (1.00) | ADORA2BADORA3ADORA2AMEN1KMT2A | |
| SCHEMBL23607984 | 0.75 | ADORA2B (0.71) | ADORA2BADORA2AMEN1KMT2APDE3B | |
| SCHEMBL348494 | 0.74 | GUSB (0.73) | MEN1KMT2A | |
| SCHEMBL6796628 | 0.73 | ADORA2B (0.64) | ADORA2BADORA3ADORA2AMEN1KMT2A | |
| SCHEMBL9837292 | 0.72 | ADORA2B (0.46) | ADORA2BADORA3ADORA2AADORA1 | |
| SCHEMBL10723867 | 0.72 | ADORA2B (1.00) | ADORA2BADORA3ADORA2AADORA1 | |
| SCHEMBL7638825 | 0.71 | ADORA2B (0.70) | ADORA2BADORA3ADORA2AADORA1 | |
| SCHEMBL1051055 | 0.70 | ADORA2B (0.60) | ADORA2BMEN1KMT2AXDH | |
| SCHEMBL5970362 | 0.70 | ADORA2B (0.52) | ADORA2BADORA3ADORA2AMEN1KMT2A | |
| SCHEMBL5126528 | 0.70 | MEN1 (0.55) | ADORA2BADORA3ADORA2AMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-5453426-A | Sulfur-containing xanthine derivatives as adenosine antagonists | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1995-09-26 | — | — | US | disclosed |
| WO-1990012797-A1 | SULFER-CONTAINING XANTHINE DERIVATIVES AS ADENOSIN ANTAGONISTS | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, U.S. DEPARTMENT OF COMMERCE (US) | 1990-11-01 | — | — | WO | disclosed |