Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 4/20 | 0.61 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.61 |
| ▸ | MAOB | P27338 | 2/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.50 |
| ▸ | FEN1 | P39748 | 1/20 | 0.50 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9257945 | 0.86 | ERCC1 (0.48) | ADORA2BADORA2AMAOBGAAMAPT | |
| SCHEMBL17626212 | 0.81 | ALDH1A1 (0.56) | ADORA2BADORA2AMAPTTP53ERCC1 | |
| SCHEMBL2403877 | 0.78 | ADORA2B (0.69) | ADORA2BADORA2AMAOBALDH1A1RXFP1 | |
| SCHEMBL4146728 | 0.76 | ADORA2B (1.00) | ADORA2BADORA2AMAOBALDH1A1SMN1; SMN2 | |
| SCHEMBL25089930 | 0.74 | ADORA2B (0.65) | ADORA2BADORA2AMAOBMAOA | |
| SCHEMBL593805 | 0.73 | ADORA2B (0.77) | ADORA2BADORA2AMAOBTP53RXFP1 | |
| SCHEMBL28501882 | 0.72 | ADORA1 (0.64) | ADORA2BADORA2AKDM4EHSD17B10ADORA1 | |
| SCHEMBL1347557 | 0.71 | ADORA2A (0.73) | ADORA2BADORA2AMAOBMAOA | |
| SCHEMBL7032893 | 0.70 | ADORA2B (0.68) | ADORA2BADORA2AMAOBKDM4EALDH1A1 | |
| SCHEMBL9118620 | 0.70 | ALDH1A1 (0.49) | MAPTTP53ERCC1FEN1ERCC4 |
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 |