Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | CCNA2 | P20248 | 4/20 | 0.36 |
| ▸ | CDK2 | P24941 | 4/20 | 0.36 |
| ▸ | CCNA1 | P78396 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | RET | P07949 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.32 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | JAK1 | P23458 | 1/20 | 0.32 |
| ▸ | TYK2 | P29597 | 1/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15566566 | 0.78 | SMN1; SMN2 (0.40) | GRM5CCNA2CDK2CCNA1HPGD | |
| SCHEMBL3996291 | 0.71 | ALOX5AP (0.33) | HPGDRETPDE4DPDE7AALDH1A1 | |
| SCHEMBL6385540 | 0.71 | GFER (0.34) | CDK8 | |
| SCHEMBL7522906 | 0.70 | PIM3 (0.41) | CCNA2CDK2CCNA1HPGDALDH1A1 | |
| SCHEMBL6386074 | 0.69 | GAA (0.34) | CDK8 | |
| SCHEMBL7001118 | 0.68 | ADORA2A (0.37) | CCNA2CDK2CCNA1HPGDALDH1A1 | |
| Bromide SCHEMBL7823529 | 0.67 | ADORA2A (0.36) | CCNA2CDK2CCNA1HPGDALDH1A1 | |
| SCHEMBL5230043 | 0.67 | RET (0.42) | CCNA2CDK2CCNA1RETPDE4D | |
| SCHEMBL1814028 | 0.67 | RET (0.42) | CCNA2CDK2CCNA1RETPDE4D | |
| SCHEMBL21501683 | 0.66 | PDE10A (0.31) | — |
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-2014024125-A1 | PYRAZOLO[4,3-D]PYRIMIDIN-7(6H)-ONE DERIVATIVES AS PDE9 INHIBITORS | CELON PHARMA S.A. (PL) | 2014-02-13 | — | — | WO | disclosed |