Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 7/20 | 0.45 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.42 |
| ▸ | TYMS | P04818 | 3/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.39 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.39 |
| ▸ | CDK4 | P11802 | 1/20 | 0.38 |
| ▸ | CCND1 | P24385 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22716291 | 1.00 | PARP1 (0.45) | PARP1TNKS2TYMSADORA3KDM4E | |
| SCHEMBL31330714 | 0.82 | PARP1 (0.44) | PARP1TNKS2TYMSADORA3KDM4E | |
| SCHEMBL29656679 | 0.77 | PARP1 (0.40) | PARP1TNKS2TYMSADORA3KDM4E | |
| SCHEMBL21514304 | 0.77 | ALDH1A1 (0.47) | PARP1TNKS2TYMSADORA3KDM4E | |
| SCHEMBL21514395 | 0.77 | PARP1 (0.40) | PARP1TNKS2TYMSADORA3KDM4E | |
| SCHEMBL21514323 | 0.77 | CYP1A2 (0.47) | PARP1TNKS2ADORA3KDM4ENPC1 | |
| SCHEMBL29656661 | 0.76 | PARP1 (0.39) | PARP1TNKS2TYMSADORA3KDM4E | |
| SCHEMBL21514669 | 0.76 | PARP1 (0.39) | PARP1TNKS2TYMSADORA3KDM4E | |
| SCHEMBL21514309 | 0.74 | PARP1 (0.38) | PARP1TNKS2TYMSADORA3KDM4E | |
| SCHEMBL26644552 | 0.74 | TYRO3 (0.43) | PARP1TNKS2TYMSKDM4EALDH1A1 |
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 4 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 |
| CN-114222737-A | Small molecule inhibitor of NF-kB induced kinase | 詹森药业有限公司 | 2022-03-22 | — | — | CN | disclosed |