Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13657202 | 1.00 | ADORA2A (0.51) | ADORA2AADORA1ADORA3CCNA2CDK2 | |
| SCHEMBL13645791 | 0.94 | ADORA2A (0.57) | ADORA2AADORA1ADORA3 | |
| SCHEMBL13657170 | 0.93 | ADORA2A (0.51) | ADORA2AADORA1ADORA3CDK2 | |
| SCHEMBL12375002 | 0.92 | ADORA2A (0.51) | ADORA2AADORA1ADORA3 | |
| SCHEMBL13657205 | 0.91 | ADORA2A (0.50) | ADORA2AADORA1ADORA3 | |
| SCHEMBL12373543 | 0.91 | ADORA2A (0.50) | ADORA2AADORA1ADORA3 | |
| SCHEMBL14393606 | 0.90 | ADORA2A (0.50) | ADORA2AADORA1ADORA3BACE1 | |
| SCHEMBL14393655 | 0.89 | ADORA2A (0.48) | ADORA2AADORA1ADORA3 | |
| SCHEMBL13819543 | 0.89 | ADORA2A (0.48) | ADORA2AADORA1ADORA3 | |
| SCHEMBL14393326 | 0.88 | ADORA2A (0.47) | ADORA2AADORA1ADORA3 |
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-7989431-B2 | 4-{3-[6-Amino-9-(5-cyclopropylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-yl]-prop-2-ynyl}-cyclohexanecarboxylic acid methyl ester; for inflammation, such as organ, tissue or cell transplantation, angioplasty (PCTA), inflammation following ischemia/reperfusion, or grafting | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2011-08-02 | — | — | US | disclosed |