Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 8/20 | 0.59 |
| ▸ | CDK2 | P24941 | 12/20 | 0.53 |
| ▸ | CCNE1 | P24864 | 11/20 | 0.53 |
| ▸ | CCNT1 | O60563 | 5/20 | 0.45 |
| ▸ | CDK4 | P11802 | 5/20 | 0.45 |
| ▸ | CCND1 | P24385 | 5/20 | 0.45 |
| ▸ | CDK9 | P50750 | 5/20 | 0.45 |
| ▸ | CDK6 | Q00534 | 5/20 | 0.45 |
| ▸ | CDK1 | P06493 | 4/20 | 0.45 |
| ▸ | CCNB1 | P14635 | 4/20 | 0.45 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.45 |
| ▸ | CCND3 | P30281 | 1/20 | 0.45 |
| ▸ | CDK7 | P50613 | 1/20 | 0.45 |
| ▸ | CCNH | P51946 | 1/20 | 0.45 |
| ▸ | CCNB2 | O95067 | 3/20 | 0.43 |
| ▸ | CCNE2 | O96020 | 3/20 | 0.43 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.43 |
| ▸ | CDK5R1 | Q15078 | 3/20 | 0.43 |
| ▸ | CCNB3 | Q8WWL7 | 3/20 | 0.43 |
| ▸ | CHUK | O15111 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL24676712 | 0.86 | IKBKB (0.59) | IKBKBCDK2CCNE1CCNT1CDK4 | |
| SCHEMBL24676799 | 0.82 | CDK2 (0.58) | IKBKBCDK2CCNE1CCNT1CDK4 | |
| SCHEMBL24676803 | 0.82 | IKBKB (0.56) | IKBKBCDK2CCNE1CCNT1CDK4 | |
| SCHEMBL29755006 | 0.81 | IKBKB (0.56) | IKBKBCDK2CCNE1CCNT1CDK4 | |
| SCHEMBL24676704 | 0.81 | IKBKB (0.56) | IKBKBCDK2CCNE1CCNT1CDK4 | |
| SCHEMBL24676796 | 0.77 | IKBKB (0.60) | IKBKBCDK2CCNE1CCNT1CDK4 | |
| SCHEMBL24675962 | 0.75 | IKBKB (0.58) | IKBKBCDK2CCNE1CCNT1CDK4 | |
| SCHEMBL31443373 | 0.74 | IKBKB (0.62) | IKBKBCDK2CCNE1CCNT1CDK4 | |
| SCHEMBL29540438 | 0.74 | IKBKB (0.71) | IKBKBCDK2CCNE1CCNT1CDK4 | |
| SCHEMBL24676711 | 0.73 | CDK2 (0.60) | CDK2CCNE1CCNT1CDK4CCND1 |
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 |