Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CLK1 | P49759 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 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 | |
|---|---|---|---|---|
| SCHEMBL16166590 | 1.00 | ADRB2 (0.41) | ADRB2CYP19A1ALDH1A1HTTCLK1 | |
| SCHEMBL16166877 | 1.00 | ADRB2 (0.41) | ADRB2CYP19A1ALDH1A1HTTCLK1 | |
| SCHEMBL25064763 | 0.83 | — | — | |
| SCHEMBL16166240 | 0.80 | PDE2A (0.44) | — | |
| SCHEMBL16175847 | 0.70 | ALDH1A1 (0.42) | ADRB2CYP19A1ALDH1A1CYP11B1CYP11B2 | |
| SCHEMBL16166256 | 0.67 | HPGD (0.43) | ADRB2HTTCLK1DYRK1AGAA | |
| SCHEMBL17560901 | 0.66 | ADRB2 (0.48) | ADRB2CYP19A1CYP11B1CYP11B2TP53 | |
| SCHEMBL29788850 | 0.66 | CYP19A1 (0.48) | ADRB2CYP19A1ALDH1A1GAA | |
| SCHEMBL16166445 | 0.63 | GAA (0.56) | CYP19A1ALDH1A1HTTGAAGFER | |
| SCHEMBL197810 | 0.61 | ADRB2 (0.65) | ADRB2CYP19A1HTTTP53MAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014167528-A1 | SPIROPYRAZOLOPYRIDINE DERIVATIVES AND USES THEREOF FOR THE TREATMENT OF VIRAL INFECTIONS | NOVARTIS AG (CH) | 2014-10-16 | — | — | WO | disclosed |
| WO-2014167528-A1 | SPIROPYRAZOLOPYRIDINE DERIVATIVES AND USES THEREOF FOR THE TREATMENT OF VIRAL INFECTIONS | NOVARTIS AG (CH) | 2014-10-16 | — | — | WO | disclosed |