Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK2 | O60674 | 8/20 | 0.37 |
| ▸ | JAK1 | P23458 | 6/20 | 0.37 |
| ▸ | TYK2 | P29597 | 4/20 | 0.37 |
| ▸ | JAK3 | P52333 | 4/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.37 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | TPH1 | P17752 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | MAP3K5 | Q99683 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30749812 | 0.85 | JAK2 (0.37) | JAK2JAK1TYK2JAK3HDAC3 | |
| SCHEMBL2605520 | 0.85 | JAK2 (0.37) | JAK2JAK1TYK2JAK3HDAC3 | |
| SCHEMBL26541045 | 0.83 | JAK2 (0.42) | JAK2JAK1TYK2JAK3HDAC3 | |
| SCHEMBL10247499 | 0.82 | JAK2 (0.38) | JAK2JAK1TYK2JAK3HDAC3 | |
| SCHEMBL28888596 | 0.81 | JAK2 (0.37) | JAK2JAK1TYK2JAK3HDAC3 | |
| SCHEMBL28861121 | 0.80 | JAK1 (0.44) | JAK2JAK1TYK2JAK3HDAC3 | |
| SCHEMBL28861123 | 0.80 | JAK2 (0.44) | JAK2JAK1TYK2JAK3HDAC3 | |
| SCHEMBL28861122 | 0.80 | JAK2 (0.44) | JAK2JAK1TYK2JAK3HDAC3 | |
| SCHEMBL30945101 | 0.78 | SIGMAR1 (0.38) | JAK2JAK1SIGMAR1TPH1 | |
| SCHEMBL17967355 | 0.78 | SIGMAR1 (0.38) | JAK2JAK1SIGMAR1TPH1 |
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-115181103-A | Preparation method of barretinib | 上海博悦生物科技有限公司 | 2022-10-14 | — | — | CN | disclosed |
| CN-114149437-A | Pyrrolopyrimidine five-membered nitrogen heterocyclic derivative and preparation method and application thereof | 安徽大学 | 2022-03-08 | — | — | CN | disclosed |