Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 4/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | JAK3 | P52333 | 1/20 | 0.42 |
| ▸ | GRM6 | O15303 | 6/20 | 0.41 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 3/20 | 0.37 |
| ▸ | MDM2 | Q00987 | 3/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1381838 | 0.94 | IKBKB (0.47) | IKBKBJAK2JAK3ALDH1A1GAA | |
| SCHEMBL4093308 | 0.89 | GRM6 (0.49) | IKBKBGRM6GRM5ALDH1A1GAA | |
| SCHEMBL1382683 | 0.74 | ALDH1A1 (0.53) | IKBKBJAK2JAK3GRM6GRM5 | |
| SCHEMBL1928166 | 0.72 | ALDH1A1 (0.51) | IKBKBJAK2JAK3GRM6GRM5 | |
| SCHEMBL1382025 | 0.71 | SMN1; SMN2 (0.48) | IKBKBJAK2JAK3ALDH1A1GAA | |
| SCHEMBL28740626 | 0.70 | ALDH1A1 (0.44) | IKBKBALDH1A1GAAMAPTMEN1 | |
| SCHEMBL20665498 | 0.69 | GRM6 (0.62) | IKBKBGRM6GRM5ALDH1A1GAA | |
| SCHEMBL6613252 | 0.68 | TP53 (0.53) | GRM6GRM5ALDH1A1GAAMAPT | |
| SCHEMBL1385006 | 0.68 | KIF11 (0.52) | IKBKBJAK2JAK3ALDH1A1MAPT | |
| SCHEMBL4099130 | 0.68 | GRM6 (0.74) | IKBKBGRM6GRM5ALDH1A1GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1261600-B1 | HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 | ASTRAZENECA AB (SE) | 2004-05-06 | — | — | EP | disclosed |