Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR6 | P51684 | 2/20 | 0.42 |
| ▸ | CDK1 | P06493 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 10/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 10/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 10/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 10/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23707244 | 1.00 | CCR6 (0.42) | CCR6CDK1CDK2ARCHRNB2 | |
| SCHEMBL17796820 | 0.91 | SMPD3 (0.43) | CCR6CDK1CDK2CHRNB2CHRNB4 | |
| SCHEMBL17796769 | 0.91 | SMPD3 (0.43) | CCR6CDK1CDK2CHRNB2CHRNB4 | |
| SCHEMBL24533959 | 0.82 | CHRNB2 (0.40) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL15205522 | 0.81 | CHRNB2 (0.59) | CCR6ARCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL25852559 | 0.81 | CHRNB2 (0.59) | CCR6ARCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL5404714 | 0.81 | CHRNB4 (0.54) | CCR6ARCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL26951386 | 0.78 | CHRNB2 (0.54) | CCR6CDK1CDK2ARCHRNB2 | |
| SCHEMBL17843209 | 0.77 | CHRNB2 (0.62) | ARCHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL25855696 | 0.77 | CCR6 (0.55) | CCR6ARCHRNB2CHRNB4CHRNA3 |
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-3029031-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2016-06-08 | — | — | EP | disclosed |