Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 14/20 | 1.00 |
| ▸ | ADORA2A | P29274 | 12/20 | 1.00 |
| ▸ | ADORA1 | P30542 | 8/20 | 0.72 |
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.72 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | BLM | P54132 | 1/20 | 0.64 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL7235224 | 0.84 | ADORA2B (1.00) | ADORA2BADORA2AADORA1ADORA3 | |
| SCHEMBL25090609 | 0.82 | ADORA2B (0.73) | ADORA2BADORA2AADORA1ADORA3KDM4E | |
| SCHEMBL7638825 | 0.82 | ADORA2B (0.70) | ADORA2BADORA2AADORA1ADORA3 | |
| SCHEMBL515769 | 0.82 | ADORA2B (1.00) | ADORA2BADORA2AADORA1ADORA3KDM4E | |
| SCHEMBL25090466 | 0.81 | ADORA2B (0.78) | ADORA2BADORA2AADORA1ADORA3KDM4E | |
| SCHEMBL7110639 | 0.81 | ADORA2B (1.00) | ADORA2BADORA2AADORA1ADORA3KDM4E | |
| SCHEMBL10723936 | 0.79 | ADORA2B (1.00) | ADORA2BADORA2AADORA1ADORA3KDM4E | |
| 8-Phenyl Theophylline SCHEMBL516432 | 0.79 | ADORA2A (1.00) | ADORA2BADORA2AADORA1ADORA3KDM4E | |
| Aminomethylamide SCHEMBL9596537 | 0.79 | ADORA2A (0.89) | ADORA2BADORA2AADORA1ADORA3KDM4E | |
| SCHEMBL516013 | 0.78 | ADORA2B (0.77) | ADORA2BADORA2AADORA1ADORA3KDM4E |
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-4696932-A | ANTIALLERGENS, ANTIHISTAMINES, CARDIOTONIC AGENTS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1987-09-29 | — | — | US | disclosed |
| EP-0198921-A4 | BIOLOGICALLY-ACTIVE XANTHINE DERIVATIVES. | US COMMERCE (US) | 1987-03-16 | — | — | EP | disclosed |
| EP-0198921-A1 | BIOLOGICALLY-ACTIVE XANTHINE DERIVATIVES | THE UNITED STATES OF AMERICA as represented by the Secretary UNITED STATES DEPARTMENT OF COMMERCE (US) | 1986-10-29 | — | — | EP | disclosed |
| US-4612315-A | Biologically-active 1,3-dipropyl-8-phenylxanthine derivatives | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1986-09-16 | — | — | US | disclosed |
| WO-1986002551-A1 | BIOLOGICALLY-ACTIVE XANTHINE DERIVATIVES | UNITED STATES OF AMERICA, REPRESENTED BY THE UNITE (US) | 1986-05-09 | — | — | WO | disclosed |