Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 5/20 | 0.79 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.79 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.79 |
| ▸ | MEN1 | O00255 | 1/20 | 0.79 |
| ▸ | GMNN | O75496 | 1/20 | 0.79 |
| ▸ | LMNA | P02545 | 1/20 | 0.79 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.79 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.79 |
| ▸ | TSHR | P16473 | 1/20 | 0.79 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.79 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.79 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.79 |
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 | |
|---|---|---|---|---|
| SCHEMBL7427017 | 0.95 | ADORA1 (0.78) | ADORA1ADORA2AADORA2BMEN1GMNN | |
| 1,3-Dipropyl-8-Cyclopentylxanthine [Dpcpx] SCHEMBL382422 | 0.88 | ADORA1 (1.00) | ADORA1ADORA2AADORA2BMEN1GMNN | |
| SCHEMBL4623484 | 0.87 | ADORA1 (1.00) | ADORA1ADORA2AADORA2BMEN1GMNN | |
| SCHEMBL14903087 | 0.86 | ADORA1 (0.85) | ADORA1ADORA2AADORA2BMEN1GMNN | |
| SCHEMBL8020334 | 0.85 | ADORA1 (0.79) | ADORA1ADORA2AADORA2BMEN1GMNN | |
| SCHEMBL8126083 | 0.85 | ADORA1 (0.77) | ADORA1ADORA2AADORA2BMEN1GMNN | |
| SCHEMBL8578131 | 0.83 | ADORA1 (0.88) | ADORA1ADORA2AADORA2BMEN1GMNN | |
| SCHEMBL8576778 | 0.83 | ADORA1 (0.88) | ADORA1ADORA2AADORA2BMEN1GMNN | |
| SCHEMBL7474152 | 0.82 | ADORA1 (0.69) | ADORA1ADORA2AADORA2BMEN1GMNN | |
| SCHEMBL4621677 | 0.82 | ADORA1 (1.00) | ADORA1ADORA2AADORA2BMEN1GMNN |
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 |