Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK3 | P52333 | 2/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | JAK1 | P23458 | 1/20 | 0.39 |
| ▸ | CCNK | O75909 | 1/20 | 0.38 |
| ▸ | CCND3 | P30281 | 1/20 | 0.38 |
| ▸ | CDK9 | P50750 | 1/20 | 0.38 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 9/20 | 0.36 |
| ▸ | CTSC | P53634 | 3/20 | 0.36 |
| ▸ | BTK | Q06187 | 6/20 | 0.35 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.35 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.35 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28085703 | 0.75 | JAK3 (0.40) | JAK3JAK2JAK1EGFRCTSC | |
| SCHEMBL29019892 | 0.72 | CCNK (0.55) | JAK3JAK2JAK1CCNKCCND3 | |
| SCHEMBL30395233 | 0.72 | CCNK (0.55) | JAK3JAK2JAK1CCNKCCND3 | |
| SCHEMBL13622514 | 0.69 | CTSC (0.46) | JAK3JAK2JAK1EGFRCTSC | |
| SCHEMBL9945478 | 0.67 | BTK (0.67) | EGFRBTK | |
| SCHEMBL4175833 | 0.66 | BCL6 (0.56) | JAK3JAK2JAK1EGFRCTSC | |
| SCHEMBL1083020 | 0.66 | BCL6 (0.42) | JAK3JAK2JAK1CCNKCCND3 | |
| SCHEMBL17526260 | 0.65 | BRD4 (0.60) | JAK3JAK2JAK1CCNKCCND3 | |
| SCHEMBL13669814 | 0.65 | BCL6 (0.48) | JAK3JAK2JAK1EGFRCTSC | |
| SCHEMBL9945497 | 0.65 | EGFR (0.64) | JAK3JAK2JAK1CCNKCCND3 |
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-105801603-A | ALK inhibitor with macrocyclic structure and preparation method thereof | 成都倍特药业有限公司 | 2016-07-27 | — | — | CN | claimed |
| CN-105801603-A | ALK inhibitor with macrocyclic structure and preparation method thereof | 成都倍特药业有限公司 | 2016-07-27 | — | — | CN | disclosed |