Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 5/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.32 |
| ▸ | CASP1 | P29466 | 5/20 | 0.32 |
| ▸ | CASP7 | P55210 | 5/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7937864 | 0.93 | ADORA2A (0.38) | ADORA2AADORA1ADORA2BADORA3PDE4A | |
| SCHEMBL7943995 | 0.86 | HSF1 (0.36) | ADORA2AADORA1ADORA3USP2CYP1A2 | |
| SCHEMBL7937747 | 0.85 | HSF1 (0.35) | ADORA2AADORA1ADORA3USP2CYP1A2 | |
| SCHEMBL7944574 | 0.83 | HSF1 (0.36) | ADORA2AADORA1ADORA2BADORA3HPGD | |
| SCHEMBL7943760 | 0.82 | CD38 (0.37) | ADORA2AADORA1ADORA2BCCNT1CDK9 | |
| SCHEMBL7944093 | 0.80 | STIM1 (0.38) | ADORA2AADORA1ADORA2BCCNT1CDK9 | |
| SCHEMBL7944078 | 0.76 | PDE4B (0.42) | ADORA2AADORA1ADORA2BADORA3PDE4B | |
| SCHEMBL7944114 | 0.70 | PDE4B (0.48) | ADORA2AADORA1ADORA2BADORA3PDE4A | |
| SCHEMBL7946794 | 0.69 | ADORA1 (0.39) | ADORA2AADORA1ADORA2BADORA3PDE4B | |
| SCHEMBL7945987 | 0.69 | TYRO3 (0.36) | USP2CYP1A2CASP1CASP7HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010008775-A1 | AMINOPYRIDOPYRAZINONE DERIVATIVES FOR TREATING NEURODEGENERATIVE DISEASES | LIGAND PHARMACEUTICALS INC. (US) | 2010-01-21 | — | — | WO | disclosed |