Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 8/20 | 0.46 |
| ▸ | AKT1 | P31749 | 4/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.33 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.33 |
| ▸ | CPN1 | P15169 | 1/20 | 0.33 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL359262 | 0.81 | AAK1 (0.42) | SMYD3 | |
| SCHEMBL4071612 | 0.79 | SMYD3 (0.60) | SMYD3AKT1CDK2OPRD1CACNA2D1 | |
| SCHEMBL363880 | 0.72 | SMYD3 (0.45) | SMYD3AKT1CDK2 | |
| SCHEMBL1727781 | 0.70 | SMYD3 (0.43) | SMYD3AKT1CDK2 | |
| SCHEMBL1729339 | 0.69 | TSHR (0.46) | SMYD3 | |
| SCHEMBL1729633 | 0.69 | SMYD3 (0.42) | SMYD3AKT1CDK2 | |
| SCHEMBL1728827 | 0.69 | SMYD3 (0.44) | SMYD3AKT1CDK2 | |
| SCHEMBL1729063 | 0.69 | SMYD3 (0.42) | SMYD3AKT1CDK2 | |
| SCHEMBL3701313 | 0.69 | AKT1 (0.43) | SMYD3AKT1CDK2 | |
| SCHEMBL2333984 | 0.68 | AKT1 (0.45) | SMYD3AKT1CDK2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110003219-A | Pyrazolo [1,5A] pyrimidine and thieno [3,2B] pyrimidine derivatives as IRAK4 regulator | 弗·哈夫曼-拉罗切有限公司 | 2019-07-12 | — | — | CN | disclosed |
| CN-105367577-B | Pyrazolo [1,5A] pyrimidine and thieno [3,2B] pyrimidine derivatives as IRAK4 regulator | 弗·哈夫曼-拉罗切有限公司 | 2019-04-23 | — | — | CN | disclosed |
| CN-105367577-A | Pyrazolo[1,5A]Pyrimidine Derivatives As Irak4 Modulators | HOFFMANN LA ROCHE | 2016-03-02 | — | — | CN | disclosed |
| CN-102985426-B | Pyrazolo [1,5A ] pyrimidine and thieno [3,2B ] pyrimidine derivatives as IRAK4 modulators | F. HOFFMANN-LA ROCHE AG (CH) | 2015-10-07 | — | — | CN | disclosed |