Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA5 | P31644 | 8/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 7/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 6/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 6/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 5/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 5/20 | 0.38 |
| ▸ | GABRA6 | Q16445 | 4/20 | 0.38 |
| ▸ | HAO1 | Q9UJM8 | 2/20 | 0.35 |
| ▸ | GABRA4 | P48169 | 5/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | SMO | Q99835 | 1/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.31 |
| ▸ | AURKA | O14965 | 1/20 | 0.31 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.31 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.31 |
| ▸ | GSK3A | P49840 | 1/20 | 0.31 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.31 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27810079 | 0.78 | GABRA5 (0.42) | GABRA5GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL27634812 | 0.77 | CHEK1 (0.54) | CYP11B2SMOCHEK1AURKADAPK3 | |
| SCHEMBL27690302 | 0.77 | HDAC8 (0.39) | SMOCHEK1AURKADAPK3CSNK1A1 | |
| SCHEMBL4014826 | 0.75 | CHEK1 (0.57) | GABRA5GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL4293893 | 0.75 | CHEK1 (0.43) | GABRA5GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL27664784 | 0.74 | KMO (0.41) | CYP11B2 | |
| SCHEMBL27634814 | 0.73 | GLS (0.47) | CLK4 | |
| SCHEMBL28001357 | 0.73 | NOTUM (0.33) | CYP11B2SMOCHEK1AURKADAPK3 | |
| SCHEMBL28995765 | 0.72 | GRIN2B (0.46) | HAO1 | |
| SCHEMBL27769204 | 0.71 | CHEK1 (0.32) | SMOCHEK1AURKADAPK3CSNK1A1 |
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-103429585-B | Indazolyl triazole derivatives as interleukin-1 receptor associated kinase inhibitors | MERCK SERONO SA | 2015-07-08 | — | — | CN | disclosed |