Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAK1 | Q13153 | 1/20 | 0.38 |
| ▸ | ULK1 | O75385 | 2/20 | 0.36 |
| ▸ | SYK | P43405 | 3/20 | 0.35 |
| ▸ | ULK2 | Q8IYT8 | 1/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.33 |
| ▸ | CCNK | O75909 | 1/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CDK7 | P50613 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
| ▸ | CCNH | P51946 | 1/20 | 0.33 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.33 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.33 |
| ▸ | JAK3 | P52333 | 2/20 | 0.31 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.30 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.30 |
| ▸ | FEN1 | P39748 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6796913 | 1.00 | PAK1 (0.38) | PAK1ULK1SYKULK2CCNT1 | |
| SCHEMBL16145855 | 0.83 | PAK1 (0.38) | PAK1ULK1SYKCCNT1CCNK | |
| SCHEMBL1551868 | 0.81 | PAK1 (0.56) | PAK1ULK1ULK2IP6K1 | |
| SCHEMBL7662487 | 0.78 | PAK1 (0.60) | PAK1ULK1CDK2IP6K1 | |
| SCHEMBL2789819 | 0.77 | PAK1 (0.51) | PAK1ULK1SYKULK2IP6K1 | |
| SCHEMBL6797414 | 0.72 | PAK1 (0.47) | PAK1ULK1ULK2CDK2IRAK4 | |
| SCHEMBL7068425 | 0.71 | PAK1 (0.46) | PAK1ULK1SYKULK2CCNK | |
| SCHEMBL4480587 | 0.67 | KDM4E (0.33) | CDK2 | |
| SCHEMBL5072697 | 0.67 | EGFR (0.36) | ULK1CDK2 | |
| SCHEMBL30677393 | 0.67 | KDM4E (0.36) | CDK2 |
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 |