Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 4/20 | 0.48 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 12/20 | 0.43 |
| ▸ | CCND1 | P24385 | 9/20 | 0.43 |
| ▸ | CDK4 | P11802 | 8/20 | 0.43 |
| ▸ | CDK6 | Q00534 | 8/20 | 0.43 |
| ▸ | CCND3 | P30281 | 7/20 | 0.43 |
| ▸ | CDK1 | P06493 | 7/20 | 0.43 |
| ▸ | CCNB1 | P14635 | 6/20 | 0.43 |
| ▸ | CCNA2 | P20248 | 6/20 | 0.43 |
| ▸ | CDK7 | P50613 | 5/20 | 0.43 |
| ▸ | CCNH | P51946 | 5/20 | 0.43 |
| ▸ | CCNE1 | P24864 | 5/20 | 0.42 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.41 |
| ▸ | CCNT1 | O60563 | 3/20 | 0.40 |
| ▸ | CDK9 | P50750 | 3/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.38 |
| ▸ | IDH1 | O75874 | 1/20 | 0.38 |
| ▸ | IDH2 | P48735 | 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 | |
|---|---|---|---|---|
| SCHEMBL24676705 | 0.91 | IKBKB (0.49) | IKBKBGPR119CDK2CCND1CDK4 | |
| SCHEMBL24676942 | 0.88 | CDK2 (0.43) | IKBKBCDK2CCND1CDK4CDK6 | |
| SCHEMBL24676930 | 0.80 | IKBKB (0.52) | IKBKBCDK2CCND1CDK4CDK6 | |
| SCHEMBL29754851 | 0.80 | IKBKB (0.52) | IKBKBCDK2CCND1CDK4CDK6 | |
| SCHEMBL29754874 | 0.80 | IKBKB (0.54) | IKBKBCDK2CCND1CDK4CDK6 | |
| SCHEMBL24675988 | 0.80 | IKBKB (0.54) | IKBKBCDK2CCND1CDK4CDK6 | |
| SCHEMBL24675961 | 0.80 | IKBKB (0.58) | IKBKBCDK2CCND1CDK4CDK6 | |
| SCHEMBL29755006 | 0.80 | IKBKB (0.56) | IKBKBCDK2CCND1CDK4CDK6 | |
| SCHEMBL24676704 | 0.80 | IKBKB (0.56) | IKBKBCDK2CCND1CDK4CDK6 | |
| SCHEMBL24676922 | 0.79 | CDK2 (0.58) | IKBKBCDK2CCND1CDK4CDK6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022155941-A1 | CDK2 INHIBITORS | QILU REGOR THERAPEUTICS INC. (CN) | 2022-07-28 | — | — | WO | disclosed |