Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.48 |
| ▸ | CDC7 | O00311 | 1/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 2/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.38 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.37 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.37 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.36 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.36 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.36 |
| ▸ | MAPKAPK3 | Q16644 | 1/20 | 0.36 |
| ▸ | MAPK6 | Q16659 | 1/20 | 0.36 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.36 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30408728 | 1.00 | HDAC6 (0.48) | HDAC6CDC7CCNE1CDK2DBF4 | |
| SCHEMBL25195476 | 0.82 | TLR8 (0.46) | CDC7CCNE1CDK2DBF4JAK2 | |
| SCHEMBL19321936 | 0.74 | HDAC6 (0.55) | HDAC6HTR7NOTUM | |
| SCHEMBL6763933 | 0.72 | HDAC6 (0.55) | HDAC6HTR7PIM3PIM2PIM1 | |
| SCHEMBL22116919 | 0.72 | NPC1 (0.56) | HDAC6MAPK1 | |
| SCHEMBL2891668 | 0.71 | HDAC6 (0.51) | HDAC6HTR7NOTUM | |
| SCHEMBL13122324 | 0.70 | MAP2K4 (0.56) | MAPK1MAP2K4MAPKAPK2MAPKAPK3MAPK6 | |
| SCHEMBL30203753 | 0.70 | HPGD (0.63) | HDAC6NOTUM | |
| SCHEMBL19317251 | 0.70 | HDAC6 (0.50) | HDAC6HTR7NOTUM | |
| SCHEMBL19188029 | 0.69 | JAK2 (0.57) | CDC7CDK2JAK2MAPK1MAP2K4 |
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-2023078337-A1 | CDK8/19 DUAL INHIBITORS AND METHODS OF USE | INSILICO MEDICINE IP LIMITED (CN) | 2023-05-11 | — | — | WO | disclosed |