Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.39 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.38 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | JAK3 | P52333 | 1/20 | 0.36 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4507899 | 0.88 | ADORA2A (0.53) | GSK3BADORA2AADORA1USP2ALDH1A1 | |
| SCHEMBL18542913 | 0.77 | ALDH1A1 (0.44) | ADORA2AADORA1GPR84SMN1; SMN2TP53 | |
| SCHEMBL12371760 | 0.73 | GSK3B (0.45) | GSK3BADORA2AADORA1SMN1; SMN2PRKCQ | |
| SCHEMBL12371740 | 0.73 | GSK3B (0.45) | GSK3BADORA2AADORA1SMN1; SMN2MAPT | |
| SCHEMBL14569129 | 0.70 | ADORA2A (0.44) | GSK3BADORA2AADORA1SMN1; SMN2MAPT | |
| SCHEMBL4512221 | 0.70 | ADORA2A (0.63) | ADORA2AADORA1TP53MEN1USP2 | |
| SCHEMBL12371703 | 0.69 | JAK2 (0.44) | ADORA2AADORA1JAK2JAK3MAPT | |
| SCHEMBL14569011 | 0.69 | ADORA2A (0.68) | ADORA2AADORA1 | |
| SCHEMBL16034402 | 0.69 | CASP1 (0.41) | ADORA2AADORA1GPR84SMN1; SMN2MEN1 | |
| SCHEMBL18542929 | 0.69 | MEN1 (0.44) | GSK3BGPR84TP53PRKCQFFAR1 |
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-2007035873-A1 | PURINONE DERIVATIVES FOR TREATING NEURODEGENERATIVE DISEASES | PHARMACOPEIA, INC. (US) | 2007-03-29 | — | — | WO | disclosed |