Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 18/20 | 1.00 |
| ▸ | CDK4 | P11802 | 17/20 | 1.00 |
| ▸ | GSK3B | P49841 | 15/20 | 1.00 |
| ▸ | DYRK1A | Q13627 | 5/20 | 1.00 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.66 |
| ▸ | CCNK | O75909 | 1/20 | 0.60 |
| ▸ | CCNC | P24863 | 1/20 | 0.60 |
| ▸ | CDK8 | P49336 | 1/20 | 0.60 |
| ▸ | CDK9 | P50750 | 1/20 | 0.60 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| Gw778894X SCHEMBL4464130 | 1.00 | CDK2 (1.00) | CDK2CDK4GSK3BDYRK1ASLC2A1 | |
| SCHEMBL4486744 | 0.88 | CDK2 (1.00) | CDK2CDK4GSK3BDYRK1ACCNK | |
| SCHEMBL4484286 | 0.83 | CDK2 (1.00) | CDK2CDK4GSK3BDYRK1ACCNK | |
| SCHEMBL13713471 | 0.82 | DYRK1A (0.75) | CDK2CDK4GSK3BDYRK1ASLC2A1 | |
| Pyrazolopyridazine 1 SCHEMBL4489357 | 0.81 | CDK2 (1.00) | CDK2CDK4GSK3BDYRK1ASLC2A1 | |
| SCHEMBL4479694 | 0.81 | CDK2 (0.77) | CDK2CDK4GSK3BDYRK1ASLC2A1 | |
| SCHEMBL4488333 | 0.80 | CDK2 (1.00) | CDK2CDK4GSK3BDYRK1ACCNK | |
| SCHEMBL4486650 | 0.80 | CDK2 (1.00) | CDK2CDK4GSK3BDYRK1ACCNK | |
| SCHEMBL4482276 | 0.80 | CDK2 (1.00) | CDK2CDK4GSK3BDYRK1ASLC2A1 | |
| SCHEMBL6206049 | 0.80 | CDK2 (0.81) | CDK2CDK4GSK3BDYRK1ASLC2A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220281930-A1 | COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL PAIN AND ITCH | DUKE UNIVERSITY (US) | 2022-09-08 | — | — | US | disclosed |
| EP-4017873-A2 | COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL PAIN AND ITCH | Duke University (US) | 2022-06-29 | — | — | EP | disclosed |