Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.70 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.70 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.54 |
| ▸ | ILK | Q13418 | 3/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | AKT2 | P31751 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | IKBKB | O14920 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6132021 | 0.94 | MAPK1 (0.70) | MAPK1NPSR1RPS6KA3CYP3A4MAPK14 | |
| SCHEMBL6132067 | 0.84 | MAPK1 (0.80) | MAPK1NPSR1RPS6KA3CYP3A4MAPK14 | |
| SCHEMBL6132080 | 0.84 | MAPK1 (0.80) | MAPK1NPSR1RPS6KA3CYP3A4MAPK14 | |
| SCHEMBL5820038 | 0.83 | MAPK1 (1.00) | MAPK1NPSR1RPS6KA3CYP3A4MAPK14 | |
| SCHEMBL6132051 | 0.76 | MAPK1 (0.83) | MAPK1NPSR1RPS6KA3CYP3A4MAPK14 | |
| SCHEMBL6132033 | 0.75 | MAPK1 (0.70) | MAPK1NPSR1RPS6KA3CYP3A4MAPK14 | |
| SCHEMBL6132076 | 0.74 | MAPK1 (0.80) | MAPK1NPSR1RPS6KA3CYP3A4MAPK14 | |
| SCHEMBL6132022 | 0.74 | MAPK1 (0.80) | MAPK1NPSR1RPS6KA3CYP3A4MAPK14 | |
| SCHEMBL1227422 | 0.74 | GSK3B (0.46) | MAPK1NPSR1RPS6KA3MAPK14L3MBTL1 | |
| SCHEMBL6132023 | 0.73 | MAPK1 (0.67) | MAPK1NPSR1RPS6KA3CYP3A4MAPK14 |
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 |