Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 9/20 | 0.77 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.77 |
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.56 |
| ▸ | PDE4A | P27815 | 6/20 | 0.56 |
| ▸ | PDE4B | Q07343 | 6/20 | 0.56 |
| ▸ | PDE4C | Q08493 | 6/20 | 0.56 |
| ▸ | PDE4D | Q08499 | 6/20 | 0.56 |
| ▸ | CFTR | P13569 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.47 |
| ▸ | PDE2A | O00408 | 1/20 | 0.47 |
| ▸ | PDE5A | O76074 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | SCN1A | P35498 | 1/20 | 0.47 |
| ▸ | PDE6C | P51160 | 1/20 | 0.47 |
| ▸ | PDE1A | P54750 | 1/20 | 0.47 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.47 |
| ▸ | PDE3B | Q13370 | 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 | |
|---|---|---|---|---|
| 1-Methylxanthine SCHEMBL10996 | 0.88 | ADORA2B (1.00) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| 1-Methylxanthine SCHEMBL27529726 | 0.86 | ADORA2B (0.96) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| 1-Methylxanthine SCHEMBL28309011 | 0.86 | ADORA2B (0.96) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| 1-Methylxanthine SCHEMBL9682658 | 0.86 | ADORA2B (0.96) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| 1-Methylxanthine SCHEMBL28460409 | 0.84 | ADORA2B (0.84) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| 1-Methylxanthine SCHEMBL7270651 | 0.83 | ADORA2B (0.77) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| 1-Methylxanthine SCHEMBL17748264 | 0.79 | ADORA2B (0.89) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| 1-Methylxanthine SCHEMBL29001829 | 0.78 | ADORA2B (0.79) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| 1-Methylxanthine SCHEMBL16859909 | 0.78 | ADORA2B (0.79) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL59949 | 0.77 | ADORA2B (0.72) | ADORA2BADORA2AADORA3PDE4APDE4B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1842339-A | Internally administered therapeutic agents for cranial nerve diseases comprising mesenchymal cells as an active ingredient | RENOMEDIX INST INC (JP) | 2006-10-04 | — | — | CN | disclosed |