Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 9/20 | 0.88 |
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.88 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.88 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.88 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.88 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.88 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.88 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.88 |
| ▸ | TSHR | P16473 | 1/20 | 0.88 |
| ▸ | MEN1 | O00255 | 1/20 | 0.88 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.88 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.88 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.88 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.87 |
| ▸ | ATM | Q13315 | 1/20 | 0.87 |
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 | |
|---|---|---|---|---|
| SCHEMBL13259762 | 1.00 | ADORA2A (0.88) | ADORA2AADORA3ADORA1ADORA2BKDM4E | |
| SCHEMBL8925079 | 1.00 | ADORA2A (0.88) | ADORA2AADORA3ADORA1ADORA2BKDM4E | |
| SCHEMBL10089214 | 1.00 | ADORA2A (0.88) | ADORA2AADORA3ADORA1ADORA2BKDM4E | |
| Cgs-21680 SCHEMBL19807521 | 0.94 | ADORA2A (1.00) | ADORA2AADORA3ADORA1ADORA2BKDM4E | |
| Cgs-21680 SCHEMBL724684 | 0.94 | ADORA2A (1.00) | ADORA2AADORA3ADORA1ADORA2BKDM4E | |
| Cgs-21680 SCHEMBL24178317 | 0.94 | ADORA2A (1.00) | ADORA2AADORA3ADORA1ADORA2BKDM4E | |
| Cgs-21680 SCHEMBL12648395 | 0.94 | ADORA2A (1.00) | ADORA2AADORA3ADORA1ADORA2BKDM4E | |
| Cgs-21680 SCHEMBL2318561 | 0.94 | ADORA2A (1.00) | ADORA2AADORA3ADORA1ADORA2BKDM4E | |
| SCHEMBL20615307 | 0.94 | ADORA2A (0.88) | ADORA2AADORA3ADORA1ADORA2BKDM4E | |
| Cgs-21680 SCHEMBL724685 | 0.94 | ADORA2A (1.00) | ADORA2AADORA3ADORA1ADORA2BKDM4E |
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-8188063-B2 | A2A receptor agonists for the central nervous system; antiinflammatory agents; 2,7-disubstituted-5-amino-pyrazolo[4,3-e]-[1,2,4]-triazolo[1,5-c]pyrimidines, mefloquine, 8-(3-chlorostyryl)caffeine, 3,7,8-trisubstituted-1-propargyl-xanthines; 2,5-disubstituted-7-amino-[1,2,4]triazolo[1,5-a][1,3,5]triazines | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2012-05-29 | — | — | US | disclosed |