Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 18/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 18/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 14/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 9/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PI4KA | P42356 | 1/20 | 0.34 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.34 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.34 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22715826 | 1.00 | ADORA2A (0.41) | ADORA2AADORA1ADORA2BADORA3HTT | |
| SCHEMBL22715904 | 0.81 | ADORA2A (0.39) | ADORA2AADORA1ADORA2BADORA3PI4KA | |
| SCHEMBL29439732 | 0.81 | ADORA2A (0.39) | ADORA2AADORA1ADORA2BADORA3PI4KA | |
| SCHEMBL22715834 | 0.68 | MAP4K4 (0.50) | — | |
| SCHEMBL29439717 | 0.68 | MAP4K4 (0.50) | — | |
| SCHEMBL7930934 | 0.67 | CDK1 (0.43) | ADORA2AADORA1ADORA2BADORA3PI4KA | |
| SCHEMBL7938906 | 0.66 | ADORA2A (0.45) | ADORA2AADORA1ADORA2BADORA3PI4KA | |
| SCHEMBL12068468 | 0.65 | MAP4K4 (0.42) | HTTPI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL22715627 | 0.64 | ADORA2A (0.37) | ADORA2AADORA1ADORA2BADORA3PI4KA | |
| SCHEMBL29439817 | 0.64 | ADORA2A (0.37) | ADORA2AADORA1ADORA2BADORA3PI4KA |
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 |