Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK3 | P52333 | 1/20 | 0.39 |
| ▸ | NEK1 | Q96PY6 | 5/20 | 0.35 |
| ▸ | AXL | P30530 | 2/20 | 0.35 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.35 |
| ▸ | WDR5 | P61964 | 2/20 | 0.35 |
| ▸ | KIT | P10721 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | HTR1D | P28221 | 1/20 | 0.34 |
| ▸ | HTR1B | P28222 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 2/20 | 0.34 |
| ▸ | CDK1 | P06493 | 2/20 | 0.34 |
| ▸ | FLT3 | P36888 | 2/20 | 0.34 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.34 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.34 |
| ▸ | CDK9 | P50750 | 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 | |
|---|---|---|---|---|
| SCHEMBL8940203 | 0.92 | NEK1 (0.40) | JAK3NEK1AXLNTRK1MTNR1A | |
| SCHEMBL12338423 | 0.90 | JAK3 (0.41) | JAK3NEK1AXLNTRK1CDK2 | |
| SCHEMBL8941714 | 0.90 | JAK3 (0.41) | JAK3NEK1AXLNTRK1CDK2 | |
| SCHEMBL12338413 | 0.89 | JAK3 (0.39) | JAK3NEK1AXLNTRK1CYP3A4 | |
| SCHEMBL8941710 | 0.89 | JAK3 (0.39) | JAK3NEK1AXLNTRK1CYP3A4 | |
| SCHEMBL8940272 | 0.87 | NEK1 (0.44) | JAK3NEK1AXLDYRK1AEIF2AK4 | |
| SCHEMBL1038656 | 0.87 | NEK1 (0.44) | JAK3NEK1AXLDYRK1AEIF2AK4 | |
| SCHEMBL8940466 | 0.87 | CDK2 (0.38) | JAK3NEK1NTRK1CYP3A4CDK2 | |
| SCHEMBL8940541 | 0.87 | CYP3A4 (0.40) | JAK3NTRK1WDR5CYP3A4CDK2 | |
| SCHEMBL8941610 | 0.86 | JAK3 (0.38) | JAK3NEK1AXLNTRK1CYP3A4 |
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-1851310-B1 | CRYSTAL STRUCTURE OF TAK1-TAB1 | VERTEX PHARMA (US) | 2011-01-26 | — | — | EP | claimed |