Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 19/20 | 0.83 |
| ▸ | GMNN | O75496 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.60 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | BLM | P54132 | 1/20 | 0.60 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL7681132 | 0.91 | ADORA3 (0.70) | ADORA3GMNNCYP1A2CYP3A4TMIGD3 | |
| SCHEMBL7680732 | 0.91 | ADORA3 (1.00) | ADORA3GMNNCYP1A2CYP3A4TMIGD3 | |
| SCHEMBL30741222 | 0.90 | ADORA3 (1.00) | ADORA3GMNNCYP1A2CYP3A4TMIGD3 | |
| SCHEMBL6379843 | 0.90 | ADORA3 (1.00) | ADORA3GMNNCYP1A2CYP3A4TMIGD3 | |
| SCHEMBL7678825 | 0.89 | ADORA3 (1.00) | ADORA3NPSR1 | |
| SCHEMBL7682869 | 0.88 | ADORA3 (0.65) | ADORA3GMNNCYP1A2CYP3A4TMIGD3 | |
| SCHEMBL6438205 | 0.87 | ADORA3 (1.00) | ADORA3GMNNCYP1A2CYP3A4TMIGD3 | |
| SCHEMBL31061324 | 0.87 | ADORA3 (1.00) | ADORA3GMNNCYP1A2CYP3A4TMIGD3 | |
| SCHEMBL7686715 | 0.87 | ADORA3 (0.90) | ADORA3NPSR1 | |
| SCHEMBL7683245 | 0.85 | ADORA3 (0.88) | ADORA3GMNNCYP1A2CYP3A4TMIGD3 |
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-6376521-B1 | ANTIINFLAMMATORY AGENTS; ANTIISCHEMIC AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES | 2002-04-23 | — | — | US | claimed |
| WO-2000002861-A1 | A3 ADENOSINE RECEPTOR ANTAGONISTS | THE UNITED STATES OF AMERICA, REPRESENTED BY SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2000-01-20 | — | — | WO | claimed |
| US-6376521-B1 | ANTIINFLAMMATORY AGENTS; ANTIISCHEMIC AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES | 2002-04-23 | — | — | US | disclosed |
| WO-2000002861-A1 | A3 ADENOSINE RECEPTOR ANTAGONISTS | THE UNITED STATES OF AMERICA, REPRESENTED BY SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2000-01-20 | — | — | WO | disclosed |