Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.34 |
| ▸ | LATS1 | O95835 | 2/20 | 0.32 |
| ▸ | LATS2 | Q9NRM7 | 1/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | PIM1 | P11309 | 3/20 | 0.31 |
| ▸ | JAK3 | P52333 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6796013 | 1.00 | IRAK4 (0.34) | IRAK4LATS1LATS2HCRTR1BRD4 | |
| SCHEMBL7662481 | 0.79 | RIPK1 (0.46) | IRAK4LATS1LATS2PIM1 | |
| SCHEMBL6797408 | 0.73 | PIM1 (0.43) | IRAK4BRD4PIM1 | |
| Hydrochloric Acid SCHEMBL9602450 | 0.72 | PIM1 (0.43) | IRAK4BRD4PIM1 | |
| Bromide SCHEMBL9602726 | 0.72 | PIM1 (0.43) | IRAK4BRD4PIM1 | |
| Water SCHEMBL9602231 | 0.72 | PIM1 (0.43) | IRAK4BRD4PIM1 | |
| Hydrochloric Acid SCHEMBL9688940 | 0.72 | PIM1 (0.48) | BRD4PIM1 | |
| Bromide SCHEMBL9602934 | 0.72 | RPS6KB1 (0.33) | — | |
| SCHEMBL3952312 | 0.69 | KDM4E (0.40) | — | |
| SCHEMBL9654498 | 0.68 | EGFR (0.40) | — |
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 |