Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 9/20 | 0.57 |
| ▸ | ADORA2B | P29275 | 9/20 | 0.57 |
| ▸ | PDE4A | P27815 | 7/20 | 0.56 |
| ▸ | PDE4B | Q07343 | 7/20 | 0.56 |
| ▸ | PDE4C | Q08493 | 7/20 | 0.56 |
| ▸ | PDE4D | Q08499 | 7/20 | 0.56 |
| ▸ | PDE2A | O00408 | 3/20 | 0.56 |
| ▸ | PDE1A | P54750 | 3/20 | 0.56 |
| ▸ | PDE1B | Q01064 | 3/20 | 0.56 |
| ▸ | PDE1C | Q14123 | 3/20 | 0.56 |
| ▸ | CFTR | P13569 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | PDE5A | O76074 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.56 |
| ▸ | SCN1A | P35498 | 1/20 | 0.56 |
| ▸ | PDE6C | P51160 | 1/20 | 0.56 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL29015263 | 0.85 | ADORA2A (0.61) | ADORA2AADORA2BPDE4APDE4BPDE4C | |
| 1-Methylxanthine SCHEMBL27663813 | 0.76 | ADORA2B (0.77) | ADORA2AADORA2BPDE4APDE4BPDE4C | |
| SCHEMBL60158 | 0.76 | ADORA2A (0.70) | ADORA2AADORA2BPDE4APDE4BPDE4C | |
| 1-Methylxanthine SCHEMBL10996 | 0.76 | ADORA2B (1.00) | ADORA2AADORA2BPDE4APDE4BPDE4C | |
| 1-Methylxanthine SCHEMBL9682658 | 0.74 | ADORA2B (0.96) | ADORA2AADORA2BPDE4APDE4BPDE4C | |
| 1-Methylxanthine SCHEMBL28309011 | 0.74 | ADORA2B (0.96) | ADORA2AADORA2BPDE4APDE4BPDE4C | |
| 1-Methylxanthine SCHEMBL27529726 | 0.74 | ADORA2B (0.96) | ADORA2AADORA2BPDE4APDE4BPDE4C | |
| Isobutylmethylxanthine SCHEMBL7637581 | 0.73 | PDE4A (0.94) | ADORA2AADORA2BPDE4APDE4BPDE4C | |
| Isobutylmethylxanthine SCHEMBL50315 | 0.72 | PDE4A (1.00) | ADORA2AADORA2BPDE4APDE4BPDE4C | |
| Isobutylmethylxanthine SCHEMBL28814716 | 0.72 | PDE4A (1.00) | ADORA2AADORA2BPDE4APDE4BPDE4C |
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-116096860-A | Mammalian livestock pluripotent stem cell line from delayed embryo | 阿塞尔塔有限公司 | 2023-05-09 | — | — | CN | disclosed |