Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.39 |
| ▸ | CLK1 | P49759 | 1/20 | 0.39 |
| ▸ | CLK2 | P49760 | 1/20 | 0.39 |
| ▸ | CLK3 | P49761 | 1/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.39 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.39 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | ATR | Q13535 | 1/20 | 0.36 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.36 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.36 |
| ▸ | TTK | P33981 | 1/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.36 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1835480 | 0.84 | BRD4 (0.42) | BRD4DYRK1ATTKTNNI3KADORA1 | |
| SCHEMBL23147921 | 0.82 | BRD4 (0.43) | BRD4DYRK1ATTKTLR8TLR7 | |
| SCHEMBL29721888 | 0.82 | BRD4 (0.43) | BRD4DYRK1ATTKTLR8TLR7 | |
| SCHEMBL3360828 | 0.81 | PRKCI (0.44) | BRD4DYRK1ACLK1CLK2CLK3 | |
| SCHEMBL23148049 | 0.81 | AXL (0.44) | BRD4DYRK1ACLK1CLK2CLK3 | |
| SCHEMBL29722091 | 0.81 | TRPA1 (0.38) | BRD4DYRK1ACLK1CLK2CLK3 | |
| SCHEMBL23147607 | 0.81 | TRPA1 (0.38) | BRD4DYRK1ACLK1CLK2CLK3 | |
| SCHEMBL29954439 | 0.77 | ALDH1A1 (0.38) | BRD4KDM4EALDH1A1DYRK1ACLK1 | |
| SCHEMBL22759057 | 0.71 | EGFR (0.35) | BRD4DYRK1ACLK1CLK2CLK3 | |
| SCHEMBL298491 | 0.70 | BRD4 (0.60) | BRD4DYRK1ACLK2CDK5CLK4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2675801-B1 | NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2015-04-08 | — | — | EP | disclosed |