Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 12/20 | 0.77 |
| ▸ | JAK1 | P23458 | 9/20 | 0.77 |
| ▸ | HDAC1 | Q13547 | 7/20 | 0.77 |
| ▸ | JAK2 | O60674 | 7/20 | 0.74 |
| ▸ | JAK3 | P52333 | 5/20 | 0.69 |
| ▸ | TYK2 | P29597 | 4/20 | 0.69 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.69 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.69 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.69 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.69 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.69 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.69 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.69 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.69 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.69 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.69 |
| ▸ | RET | P07949 | 3/20 | 0.66 |
| ▸ | WEE1 | P30291 | 3/20 | 0.66 |
| ▸ | FLT3 | P36888 | 3/20 | 0.66 |
| ▸ | ALK | Q9UM73 | 3/20 | 0.66 |
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 | |
|---|---|---|---|---|
| SCHEMBL25383521 | 0.93 | JAK1 (0.81) | BRD4JAK1HDAC1JAK2JAK3 | |
| SCHEMBL30565200 | 0.93 | JAK1 (0.81) | BRD4JAK1HDAC1JAK2JAK3 | |
| SCHEMBL31163124 | 0.91 | BRD4 (0.74) | BRD4JAK1HDAC1JAK2JAK3 | |
| SCHEMBL30565222 | 0.91 | BRD4 (0.74) | BRD4JAK1HDAC1JAK2JAK3 | |
| SCHEMBL25382552 | 0.91 | BRD4 (0.74) | BRD4JAK1HDAC1JAK2JAK3 | |
| SCHEMBL30565235 | 0.90 | JAK1 (0.75) | BRD4JAK1HDAC1JAK2JAK3 | |
| SCHEMBL25382228 | 0.90 | JAK1 (0.75) | BRD4JAK1HDAC1JAK2JAK3 | |
| SCHEMBL25382998 | 0.88 | BRD4 (0.74) | BRD4JAK1HDAC1JAK2JAK3 | |
| SCHEMBL30565204 | 0.88 | BRD4 (0.74) | BRD4JAK1HDAC1JAK2JAK3 | |
| SCHEMBL30565206 | 0.88 | BRD4 (0.74) | BRD4JAK1HDAC1JAK2JAK3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113429351-A | HDAC and JAK dual-targeting inhibitor, preparation method and application | 常州工程职业技术学院 | 2021-09-24 | — | — | CN | claimed |
| CN-113754591-A | HDAC, JAK and BET three-target inhibitor and preparation method and application thereof | 山东大学 | 2021-12-07 | — | — | CN | disclosed |
| CN-113429351-A | HDAC and JAK dual-targeting inhibitor, preparation method and application | 常州工程职业技术学院 | 2021-09-24 | — | — | CN | disclosed |