Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ADORA2B | P29275 | 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 | |
|---|---|---|---|---|
| SCHEMBL22715058 | 1.00 | CDK1 (0.34) | CDK1ADORA1ADORA2AADORA3HTT | |
| SCHEMBL22744002 | 0.80 | CDK1 (0.33) | CDK1 | |
| SCHEMBL16094459 | 0.79 | ADORA1 (0.39) | ADORA1ADORA2AADORA3HTTSMN1; SMN2 | |
| SCHEMBL7938941 | 0.74 | CDK1 (0.45) | CDK1ADORA1ADORA2AADORA3HTT | |
| SCHEMBL26833890 | 0.72 | — | — | |
| SCHEMBL29439775 | 0.72 | CDC7 (0.38) | CDK1ADORA1ADORA2AADORA3ADORA2B | |
| SCHEMBL22715140 | 0.72 | CDC7 (0.38) | CDK1ADORA1ADORA2AADORA3ADORA2B | |
| SCHEMBL26833482 | 0.72 | ADORA2A (0.33) | ADORA1ADORA2A | |
| SCHEMBL23854570 | 0.69 | CDK1 (0.34) | CDK1 | |
| SCHEMBL29439788 | 0.69 | CDK1 (0.34) | CDK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118908957-A | Small molecule inhibitors of NF- κB induced kinase | 詹森药业有限公司 | 2024-11-08 | — | — | CN | disclosed |
| CN-114222737-B | Small molecule inhibitors of NF- κB induced kinase | 詹森药业有限公司 | 2024-07-26 | — | — | CN | disclosed |
| EP-3976597-A1 | SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE | Janssen Pharmaceutica NV (BE) | 2022-04-06 | — | — | EP | disclosed |