Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.80 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.80 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.71 |
| ▸ | IKBKB | O14920 | 1/20 | 0.58 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.58 |
| ▸ | AKT2 | P31751 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | ILK | Q13418 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.49 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.49 |
| ▸ | ABL1 | P00519 | 1/20 | 0.48 |
| ▸ | SRC | P12931 | 1/20 | 0.48 |
| ▸ | GRM5 | P41594 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5820038 | 0.89 | MAPK1 (1.00) | MAPK1NPSR1RPS6KA3AKT2KMT2A | |
| SCHEMBL6132022 | 0.83 | MAPK1 (0.80) | MAPK1NPSR1RPS6KA3IKBKBMAP3K14 | |
| SCHEMBL6132067 | 0.83 | MAPK1 (0.80) | MAPK1NPSR1RPS6KA3AKT2KMT2A | |
| SCHEMBL6132080 | 0.83 | MAPK1 (0.80) | MAPK1NPSR1RPS6KA3AKT2KMT2A | |
| SCHEMBL5818294 | 0.83 | MAPK1 (0.54) | MAPK1NPSR1RPS6KA3IKBKBMAP3K14 | |
| SCHEMBL6132051 | 0.81 | MAPK1 (0.83) | MAPK1NPSR1RPS6KA3AKT2KMT2A | |
| SCHEMBL8640607 | 0.80 | MAPK1 (0.73) | MAPK1NPSR1RPS6KA3AKT2KMT2A | |
| SCHEMBL6132028 | 0.79 | MAPK1 (0.67) | MAPK1NPSR1RPS6KA3IKBKBMAP3K14 | |
| SCHEMBL8025184 | 0.77 | ABL1 (0.54) | MAPK1NPSR1RPS6KA3IKBKBMAP3K14 | |
| SCHEMBL13516075 | 0.77 | IKBKB (0.68) | MAPK1NPSR1RPS6KA3IKBKBMAP3K14 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1435957-A4 | INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3BETA PROTEIN AND PROTEIN COMPLEXES | VERTEX PHARMA (US) | 2005-04-13 | — | — | EP | disclosed |
| EP-1435957-A2 | INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3BETA PROTEIN AND PROTEIN COMPLEXES | Vertex Pharmaceuticals Incorporated (US) | 2004-07-14 | — | — | EP | disclosed |
| WO-2002088078-A2 | INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3β PROTEIN AND PROTEIN COMPLEXES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-11-07 | — | — | WO | disclosed |