Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NEK1 | Q96PY6 | 5/20 | 0.44 |
| ▸ | AXL | P30530 | 3/20 | 0.43 |
| ▸ | SGK1 | O00141 | 2/20 | 0.41 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.41 |
| ▸ | JAK3 | P52333 | 1/20 | 0.38 |
| ▸ | EIF2AK4 | Q9P2K8 | 2/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | ATP4A | P20648 | 1/20 | 0.35 |
| ▸ | ATP4B | P51164 | 1/20 | 0.35 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.35 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.35 |
| ▸ | CDC7 | O00311 | 1/20 | 0.35 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.34 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8940272 | 1.00 | NEK1 (0.44) | NEK1AXLSGK1CAMKK2JAK3 | |
| SCHEMBL8940371 | 0.92 | JAK3 (0.39) | NEK1AXLSGK1CAMKK2JAK3 | |
| SCHEMBL8940664 | 0.92 | BTK (0.42) | NEK1AXLJAK3 | |
| SCHEMBL8940498 | 0.91 | AXL (0.41) | NEK1AXLSGK1CAMKK2JAK3 | |
| SCHEMBL8940600 | 0.90 | DYRK1A (0.43) | SGK1JAK3EIF2AK4DYRK1APDE10A | |
| SCHEMBL8940711 | 0.89 | JAK3 (0.38) | NEK1AXLSGK1CAMKK2JAK3 | |
| SCHEMBL8940203 | 0.89 | NEK1 (0.40) | NEK1AXLJAK3DYRK1A | |
| SCHEMBL8940530 | 0.89 | ABL1 (0.40) | NEK1SGK1JAK3EIF2AK4PDE10A | |
| SCHEMBL15172145 | 0.88 | NEK1 (0.44) | NEK1AXLSGK1CAMKK2DYRK1A | |
| SCHEMBL8940541 | 0.87 | CYP3A4 (0.40) | SGK1JAK3EIF2AK4DYRK1AMAP3K11 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110171714-A1 | CRYSTAL STRUCTURE OF TAK1-TAB1 | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-07-14 | — | — | US | claimed |
| EP-1851310-B1 | CRYSTAL STRUCTURE OF TAK1-TAB1 | VERTEX PHARMA (US) | 2011-01-26 | — | — | EP | claimed |
| US-20110171714-A1 | CRYSTAL STRUCTURE OF TAK1-TAB1 | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-07-14 | — | — | US | disclosed |
| EP-1851310-B1 | CRYSTAL STRUCTURE OF TAK1-TAB1 | VERTEX PHARMA (US) | 2011-01-26 | — | — | EP | disclosed |
| EP-1851310-A2 | CRYSTAL STRUCTURE OF TAK1-TAB1 | Vertex Pharmaceuticals Incorporated (US) | 2007-11-07 | — | — | EP | disclosed |
| US-20070178573-A1 | Crystal structure of TAK1-TAB1 | VERTEX PHARMACEUTICALS INCORPORATED | 2007-08-02 | — | — | US | disclosed |
| WO-2006091673-A2 | CRYSTAL STRUCTURE OF TAK1-TAB1 | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-08-31 | — | — | WO | disclosed |