Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 3/20 | 0.87 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.65 |
| ▸ | LCK | P06239 | 1/20 | 0.65 |
| ▸ | CSF1R | P07333 | 1/20 | 0.65 |
| ▸ | KDR | P35968 | 1/20 | 0.65 |
| ▸ | HPGDS | O60760 | 2/20 | 0.56 |
| ▸ | DRD4 | P21917 | 1/20 | 0.55 |
| ▸ | PRMT3 | O60678 | 2/20 | 0.54 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.53 |
| ▸ | AKT1 | P31749 | 4/20 | 0.53 |
| ▸ | CDK2 | P24941 | 1/20 | 0.52 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL19710016 | 0.93 | SMYD3 (1.00) | SMYD3MAPK14LCKCSF1RKDR | |
| SCHEMBL21490065 | 0.93 | SMYD3 (1.00) | SMYD3MAPK14LCKCSF1RKDR | |
| SCHEMBL19710464 | 0.88 | SMYD3 (1.00) | SMYD3MAPK14LCKCSF1RKDR | |
| SCHEMBL21490103 | 0.88 | SMYD3 (1.00) | SMYD3MAPK14LCKCSF1RKDR | |
| SCHEMBL28437816 | 0.80 | SMYD3 (0.58) | SMYD3AKT1CDK2 | |
| SCHEMBL28975684 | 0.80 | DRD4 (0.67) | SMYD3DRD4 | |
| SCHEMBL518025 | 0.79 | SMYD3 (0.63) | SMYD3HPGDS | |
| SCHEMBL26928554 | 0.79 | SMYD3 (0.58) | SMYD3MAPK14PRMT3AKT1CDK2 | |
| SCHEMBL1519811 | 0.78 | SMYD3 (0.60) | SMYD3AKT1CDK2 | |
| SCHEMBL17643849 | 0.78 | SMYD3 (0.57) | SMYD3HPGDSPRMT3AKT1CDK2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106817900-A | Novel naphthyridines and isoquinolin and its purposes as CDK8/19 inhibitor | 默克专利有限公司 | 2017-06-09 | — | — | CN | disclosed |