Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 5/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 4/20 | 0.40 |
| ▸ | CDK1 | P06493 | 3/20 | 0.40 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.39 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.39 |
| ▸ | CDK4 | P11802 | 2/20 | 0.39 |
| ▸ | CCND1 | P24385 | 2/20 | 0.39 |
| ▸ | CCND3 | P30281 | 2/20 | 0.39 |
| ▸ | CDK7 | P50613 | 2/20 | 0.39 |
| ▸ | CDK9 | P50750 | 2/20 | 0.39 |
| ▸ | CCNH | P51946 | 2/20 | 0.39 |
| ▸ | MNAT1 | P51948 | 2/20 | 0.39 |
| ▸ | CDK6 | Q00534 | 2/20 | 0.39 |
| ▸ | CHUK | O15111 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL26943940 | 0.91 | ALDH1A1 (0.39) | IKBKBALDH1A1CDK2CCNE1CDK1 | |
| SCHEMBL26944109 | 0.91 | IKBKB (0.42) | IKBKBALDH1A1CDK2CCNE1CDK1 | |
| SCHEMBL26943302 | 0.91 | IKBKB (0.45) | IKBKBCDK2CCNE1CDK1CCNB1 | |
| SCHEMBL26943737 | 0.90 | CDK2 (0.39) | IKBKBALDH1A1CDK2CCNE1CDK1 | |
| SCHEMBL26944207 | 0.89 | CDK2 (0.40) | IKBKBALDH1A1CDK2CCNE1CDK1 | |
| SCHEMBL26943827 | 0.88 | CDK2 (0.41) | IKBKBCDK2CCNE1CDK1CCNB1 | |
| SCHEMBL26943895 | 0.88 | CDK2 (0.40) | IKBKBCDK2CCNE1CDK1CCNB1 | |
| SCHEMBL26943236 | 0.87 | IKBKB (0.47) | IKBKBCDK2CCNE1CDK1CCNB1 | |
| SCHEMBL26943136 | 0.87 | IKBKB (0.45) | IKBKBCDK2CCNE1CDK1CCNB1 | |
| SCHEMBL29763082 | 0.86 | CDK2 (0.43) | IKBKBCDK2CCNE1CDK1CCNB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4289835-A1 | CDK INHIBITOR | Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) | 2023-12-13 | — | — | EP | disclosed |