Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 17/20 | 0.78 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | GMNN | O75496 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | ADORA2A | P29274 | 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 | |
|---|---|---|---|---|
| SCHEMBL28199488 | 0.84 | ADORA3 (0.76) | ADORA3NPSR1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL6379843 | 0.80 | ADORA3 (1.00) | ADORA3NPSR1GMNNCYP1A2CYP3A4 | |
| SCHEMBL30741222 | 0.80 | ADORA3 (1.00) | ADORA3NPSR1GMNNCYP1A2CYP3A4 | |
| SCHEMBL7686721 | 0.80 | ADORA3 (1.00) | ADORA3NPSR1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL6439576 | 0.78 | ADORA3 (0.86) | ADORA3NPSR1GMNNCYP1A2CYP3A4 | |
| SCHEMBL7678825 | 0.78 | ADORA3 (1.00) | ADORA3NPSR1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL13780197 | 0.77 | ADORA3 (0.74) | ADORA3NPSR1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL8873390 | 0.77 | PDE10A (0.59) | ADORA3TSHR | |
| SCHEMBL7686715 | 0.76 | ADORA3 (0.90) | ADORA3NPSR1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL31115715 | 0.76 | ALDH1A1 (0.57) | ADORA3NPSR1KDM4EALDH1A1SMN1; SMN2 |
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 |