Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 3/20 | 0.60 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.60 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL9253597 | 0.80 | ADORA1 (0.56) | ADORA2BADORA2AADORA1KDM4EALDH1A1 | |
| SCHEMBL28501882 | 0.74 | ADORA1 (0.64) | ADORA2BADORA2AADORA1KDM4EALDH1A1 | |
| SCHEMBL7951810 | 0.72 | ADORA1 (0.53) | ADORA2BADORA2AADORA1 | |
| SCHEMBL2685370 | 0.72 | ADORA2A (0.47) | ADORA2BADORA2AADORA1 | |
| SCHEMBL7270306 | 0.70 | ADORA2B (0.64) | ADORA2BADORA2AADORA1KDM4EMEN1 | |
| SCHEMBL661108 | 0.69 | ADORA2B (1.00) | ADORA2BADORA2AADORA1KDM4EMEN1 | |
| SCHEMBL10675027 | 0.68 | ADORA2B (0.70) | ADORA2BADORA2AADORA1KDM4EMEN1 | |
| SCHEMBL8374181 | 0.68 | KDM4E (0.53) | ADORA2BADORA2AKDM4EMEN1ALDH1A1 | |
| SCHEMBL8374185 | 0.68 | KDM4E (0.53) | ADORA2BADORA2AKDM4EMEN1ALDH1A1 | |
| SCHEMBL14517848 | 0.67 | ADORA2B (0.64) | ADORA2BADORA2AADORA1KDM4EMEN1 |
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 4 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 | claimed |
| 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 |
| 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 |