Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 4/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | NUDT1 | P36639 | 3/20 | 0.38 |
| ▸ | YTHDC1 | Q96MU7 | 2/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.35 |
| ▸ | CDK2 | P24941 | 2/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | IKBKB | O14920 | 4/20 | 0.35 |
| ▸ | CHUK | O15111 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18409422 | 0.83 | CDK1 (0.42) | CDK1ADORA2AADORA1DYRK1ACCNB1 | |
| SCHEMBL13759282 | 0.79 | CDK1 (0.47) | CDK1ADORA2AADORA1DYRK1ACCNB1 | |
| SCHEMBL13764820 | 0.76 | CDK1 (0.45) | CDK1ADORA2AADORA1DYRK1ACCNB1 | |
| SCHEMBL15457576 | 0.76 | AHCY (0.49) | CDK1ADORA2AADORA1DYRK1ACCNB1 | |
| SCHEMBL13759294 | 0.76 | CDK1 (0.53) | CDK1ADORA2AADORA1YTHDC1DYRK1A | |
| SCHEMBL18398421 | 0.71 | JAK2 (0.35) | CDK1IKBKB | |
| SCHEMBL18398296 | 0.71 | JAK2 (0.37) | IKBKB | |
| SCHEMBL18398531 | 0.70 | LMNA (0.36) | CDK1CCNE1CDK2IKBKB | |
| SCHEMBL18409413 | 0.69 | JAK2 (0.54) | — | |
| SCHEMBL31566306 | 0.68 | IKBKB (0.35) | CDK2IKBKBCHUK |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017012647-A1 | NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS | GALAPAGOS NV (BE) | 2017-01-26 | — | — | WO | disclosed |