Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 2/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.34 |
| ▸ | NQO2 | P16083 | 2/20 | 0.34 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.34 |
| ▸ | SUV39H2 | Q9H5I1 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 1/20 | 0.33 |
| ▸ | TYK2 | P29597 | 1/20 | 0.33 |
| ▸ | JAK3 | P52333 | 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 | |
|---|---|---|---|---|
| SCHEMBL4539899 | 0.78 | GRM1 (0.41) | PDE4APDE4BPDE4CPDE4DCYP19A1 | |
| SCHEMBL22857366 | 0.76 | PDE4A (0.45) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| SCHEMBL4371841 | 0.74 | HPGD (0.42) | CYP19A1NQO2PRMT1GAAKDM4E | |
| SCHEMBL4055500 | 0.72 | KDM4E (0.39) | PDE4APDE4BPDE4CPDE4DCYP19A1 | |
| SCHEMBL4058080 | 0.69 | PDE4A (0.45) | PDE4APDE4BPDE4CPDE4DCYP19A1 | |
| SCHEMBL29487580 | 0.68 | HTR2C (0.62) | POLL | |
| SCHEMBL5290305 | 0.68 | HTR2C (0.62) | POLL | |
| SCHEMBL24981009 | 0.68 | CYP19A1 (0.44) | CYP19A1NQO2PRMT1MTNR1AMTNR1B | |
| SCHEMBL7292557 | 0.67 | CYP19A1 (0.51) | CYP19A1NQO2PRMT1GAAJAK2 | |
| SCHEMBL24981834 | 0.66 | NQO2 (0.35) | CYP19A1NQO2PRMT1JAK2KDM4E |
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-2009115874-A2 | NOVEL HETEROCYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION | MATRIX LABORATORIES LTD. (IN) | 2009-09-24 | — | — | WO | disclosed |