Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLK1 | P49759 | 3/20 | 0.59 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.59 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.59 |
| ▸ | RPS6KA5 | O75582 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | NOS1 | P29475 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | PKLR | P30613 | 1/20 | 0.43 |
| ▸ | ELANE | P08246 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | NPBWR1 | P48145 | 4/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | PTPRA | P18433 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30716301 | 1.00 | CLK1 (0.59) | CLK1CDK5CDK5R1RPS6KA5CYP3A4 | |
| SCHEMBL26697091 | 0.85 | CLK1 (0.54) | CLK1CDK5CDK5R1CDK2CCNT1 | |
| SCHEMBL30716382 | 0.85 | CLK1 (0.54) | CLK1CDK5CDK5R1CDK2CCNT1 | |
| SCHEMBL21629016 | 0.81 | RPS6KA5 (0.56) | CLK1CDK5CDK5R1RPS6KA5CDK2 | |
| SCHEMBL30554764 | 0.81 | RPS6KA5 (0.56) | CLK1CDK5CDK5R1RPS6KA5CDK2 | |
| SCHEMBL20680088 | 0.79 | RPS6KA5 (0.53) | CLK1CDK5CDK5R1RPS6KA5KMT2A | |
| SCHEMBL30554773 | 0.79 | RPS6KA5 (0.53) | CLK1CDK5CDK5R1RPS6KA5KMT2A | |
| SCHEMBL20680017 | 0.79 | RPS6KA5 (0.53) | RPS6KA5CDK2CCNT1CCNKCCNE1 | |
| SCHEMBL30554772 | 0.79 | RPS6KA5 (0.53) | RPS6KA5CDK2CCNT1CCNKCCNE1 | |
| SCHEMBL26696887 | 0.79 | CLK1 (0.57) | CLK1CDK5CDK5R1RPS6KA5CDK2 |
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-2023227125-A1 | NEW FUSED-HETEROCYCLIC COMPOUND AS CDK INHIBITOR AND USE THEREOF | 杭州德睿智药科技有限公司 | 2023-11-30 | — | — | WO | disclosed |