Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | KMO | O15229 | 1/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.31 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.31 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.30 |
| ▸ | DYRK1B | Q9Y463 | 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 | |
|---|---|---|---|---|
| SCHEMBL3694038 | 0.70 | DYRK1A (0.42) | HDAC8CHEK1CHEK2DYRK1ADYRK2 | |
| SCHEMBL571374 | 0.69 | HDAC8 (0.50) | HDAC8CHEK1CHEK2DYRK1ADYRK2 | |
| SCHEMBL26635424 | 0.67 | HDAC8 (0.44) | HDAC8CHEK1CHEK2DYRK1ADYRK2 | |
| SCHEMBL17701192 | 0.67 | HDAC8 (0.34) | HDAC8CHEK1CHEK2DYRK1ADYRK2 | |
| SCHEMBL12945553 | 0.67 | CD38 (0.35) | HDAC8CHEK1CHEK2DYRK1ADYRK2 | |
| SCHEMBL29045054 | 0.67 | PPARA (0.31) | PPARA | |
| SCHEMBL11036129 | 0.67 | HDAC8 (0.31) | HDAC8DYRK1A | |
| SCHEMBL21851359 | 0.65 | KDM4E (0.45) | — | |
| SCHEMBL18331593 | 0.64 | KDM4E (0.37) | PPARAKMO | |
| SCHEMBL30516102 | 0.63 | SCD (0.33) | PPARA |
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 |