Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.67 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.67 |
| ▸ | AKT2 | P31751 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.56 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.51 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.51 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.51 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.51 |
| ▸ | PRKDC | P78527 | 1/20 | 0.51 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.49 |
| ▸ | CSF1R | P07333 | 1/20 | 0.49 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.49 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.49 |
| ▸ | LTK | P29376 | 1/20 | 0.49 |
| ▸ | KDR | P35968 | 1/20 | 0.49 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.49 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.49 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.49 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.49 |
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 | 0.81 | MAPK1 (1.00) | MAPK1NPSR1AKT2KMT2ARPS6KA3 | |
| SCHEMBL6132028 | 0.81 | MAPK1 (0.67) | MAPK1NPSR1AKT2KMT2ARPS6KA3 | |
| SCHEMBL6132023 | 0.81 | MAPK1 (0.67) | MAPK1NPSR1AKT2KMT2ARPS6KA3 | |
| SCHEMBL6132022 | 0.79 | MAPK1 (0.80) | MAPK1NPSR1AKT2KMT2ARPS6KA3 | |
| SCHEMBL6132033 | 0.76 | MAPK1 (0.70) | MAPK1NPSR1AKT2KMT2ARPS6KA3 | |
| SCHEMBL544723 | 0.75 | AKT2 (1.00) | MAPK1NPSR1AKT2KMT2ARPS6KA3 | |
| SCHEMBL3877361 | 0.74 | PIK3CD (0.51) | MAPK1NPSR1AKT2KMT2APIK3CD | |
| SCHEMBL6116588 | 0.74 | BTK (0.50) | MAPK1NPSR1AKT2KMT2ARPS6KA3 | |
| SCHEMBL6132051 | 0.73 | MAPK1 (0.83) | MAPK1NPSR1AKT2KMT2ARPS6KA3 | |
| SCHEMBL14519404 | 0.73 | MAPK14 (0.47) | NPSR1AKT2RPS6KA3PIK3CDPIK3CA |
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 |