Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 5/20 | 0.69 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.69 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.69 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.66 |
| ▸ | GLA | P06280 | 1/20 | 0.66 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.66 |
| ▸ | TSHR | P16473 | 1/20 | 0.66 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.66 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.66 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.66 |
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 | |
|---|---|---|---|---|
| SCHEMBL13777463 | 1.00 | ADORA2A (0.69) | ADORA2AADORA2BADORA3ADORA1ALDH1A1 | |
| SCHEMBL13296346 | 1.00 | ADORA2A (0.69) | ADORA2AADORA2BADORA3ADORA1ALDH1A1 | |
| SCHEMBL2115815 | 1.00 | ADORA2A (0.69) | ADORA2AADORA2BADORA3ADORA1ALDH1A1 | |
| SCHEMBL3478701 | 0.92 | ADORA2A (0.70) | ADORA2AADORA2BADORA3ADORA1ALDH1A1 | |
| SCHEMBL13296312 | 0.92 | ADORA2A (0.70) | ADORA2AADORA2BADORA3ADORA1ALDH1A1 | |
| SCHEMBL2112451 | 0.92 | ADORA2A (0.70) | ADORA2AADORA2BADORA3ADORA1ALDH1A1 | |
| SCHEMBL3423490 | 0.92 | ADORA2A (0.70) | ADORA2AADORA2BADORA3ADORA1ALDH1A1 | |
| SCHEMBL2113766 | 0.92 | ADORA2A (0.81) | ADORA2AADORA2BADORA3ADORA1ALDH1A1 | |
| SCHEMBL13296309 | 0.92 | ADORA2A (0.81) | ADORA2AADORA2BADORA3ADORA1ALDH1A1 | |
| SCHEMBL3428044 | 0.92 | ADORA2A (0.81) | ADORA2AADORA2BADORA3ADORA1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7737127-B2 | 2-propynyl adenosine analogs having A2A agonist activity and compositions thereof | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2010-06-15 | — | — | US | disclosed |