Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 3/20 | 0.65 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.65 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.65 |
| ▸ | CDK2 | P24941 | 3/20 | 0.65 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.51 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.51 |
| ▸ | NSD3 | Q9BZ95 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.44 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.44 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NSD2 | O96028 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12149529 | 0.83 | CYP2C19 (0.50) | CDK1CCNB1CCNE1CDK2HSP90AA1 | |
| SCHEMBL1377647 | 0.83 | CDK1 (0.76) | CDK1CCNB1CCNE1CDK2HSP90AA1 | |
| SCHEMBL215612 | 0.82 | CDK1 (0.57) | CDK1CCNB1CCNE1CDK2HSP90AA1 | |
| SCHEMBL5507967 | 0.82 | CDK1 (0.57) | CDK1CCNB1CCNE1CDK2HSP90AA1 | |
| SCHEMBL27871148 | 0.81 | CDK1 (0.56) | CDK1CCNB1CCNE1CDK2HSP90AA1 | |
| SCHEMBL27736871 | 0.81 | FGFR1 (0.50) | CDK1CCNB1CCNE1CDK2NSD3 | |
| SCHEMBL4022228 | 0.81 | CCNE1 (0.68) | CDK1CCNB1CCNE1CDK2HSP90AA1 | |
| SCHEMBL2734810 | 0.81 | FGFR1 (0.59) | CDK1CCNB1CCNE1CDK2HSP90AA1 | |
| SCHEMBL7165319 | 0.80 | NSD3 (0.71) | NSD3LMNASMN1; SMN2ADORA2AADORA1 | |
| SCHEMBL3922885 | 0.80 | CDK1 (0.71) | CDK1CCNB1CCNE1CDK2HSP90AA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114149432-A | Dual CLK/CDK1 inhibitors for cancer treatment | 斯坦福国际研究院 | 2022-03-08 | — | — | CN | disclosed |
| CN-109937039-A | DUAL CLK/CDK1 INHIBITORS FOR CANCER TREATMENT | 斯坦福国际研究院 | 2019-06-25 | — | — | CN | disclosed |