Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAK1 | Q13153 | 1/20 | 0.47 |
| ▸ | MAPK8 | P45983 | 3/20 | 0.43 |
| ▸ | IKBKB | O14920 | 2/20 | 0.43 |
| ▸ | IGF1R | P08069 | 1/20 | 0.41 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 2/20 | 0.40 |
| ▸ | CDK4 | P11802 | 2/20 | 0.40 |
| ▸ | CCND1 | P24385 | 2/20 | 0.40 |
| ▸ | CDK2 | P24941 | 2/20 | 0.40 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.40 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.40 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.40 |
| ▸ | PAK4 | O96013 | 2/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | PLK4 | O00444 | 1/20 | 0.39 |
| ▸ | ULK1 | O75385 | 2/20 | 0.38 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.38 |
| ▸ | ULK2 | Q8IYT8 | 1/20 | 0.37 |
| ▸ | AXL | P30530 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2789819 | 0.91 | PAK1 (0.51) | PAK1MAPK8ULK1CSNK2A1ULK2 | |
| SCHEMBL7662487 | 0.88 | PAK1 (0.60) | PAK1MAPK8CDK1CDK4CCND1 | |
| SCHEMBL1551868 | 0.88 | PAK1 (0.56) | PAK1MAPK8MKNK1ULK1ULK2 | |
| SCHEMBL15264144 | 0.86 | PAK1 (0.62) | PAK1MAPK8CDK1CDK4CCND1 | |
| SCHEMBL7068425 | 0.84 | PAK1 (0.46) | PAK1MAPK8CDK1CDK2CCNB1 | |
| SCHEMBL6796018 | 0.72 | PAK1 (0.38) | PAK1CDK2IRAK4ULK1ULK2 | |
| SCHEMBL6796913 | 0.72 | PAK1 (0.38) | PAK1CDK2IRAK4ULK1ULK2 | |
| SCHEMBL16145855 | 0.72 | PAK1 (0.38) | PAK1CDK2ULK1 | |
| SCHEMBL4701457 | 0.70 | IGF1R (0.46) | MAPK8IKBKBIGF1RCDK1CDK4 | |
| SCHEMBL31736992 | 0.70 | MAPK1 (0.64) | MAPK8IKBKBIGF1RCDK1CDK4 |
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-6677316-B2 | TREATING ISCHEMIA, CARDIOVASCULAR DISORDERS, STROKE, PAIN, NERVOUS SYSTEM DISORDERS OR SLEEP APNEA; ADENOSINE A1 RECEPTOR AGONIST; 2-(3-(TERT-BUTYL)-1,2,4-OXADIAZOL-5-YL)-5-(6-(ISOBUTYLAMINO)-9H-PURIN-9-YL) TETRAHYDROFURAN-3,4-DIOL | SMITHKLINE BEECHAM CORPORATION | 2004-01-13 | — | — | US | disclosed |