Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 2/20 | 0.38 |
| ▸ | CCR5 | P51681 | 2/20 | 0.38 |
| ▸ | CCR8 | P51685 | 2/20 | 0.38 |
| ▸ | GSK3A | P49840 | 6/20 | 0.37 |
| ▸ | GSK3B | P49841 | 6/20 | 0.37 |
| ▸ | CCNB2 | O95067 | 5/20 | 0.37 |
| ▸ | CDK1 | P06493 | 5/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 5/20 | 0.37 |
| ▸ | CCNB3 | Q8WWL7 | 5/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 4/20 | 0.37 |
| ▸ | CDK5R1 | Q15078 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 2/20 | 0.32 |
| ▸ | NOS2 | P35228 | 2/20 | 0.32 |
| ▸ | CBFB | Q13951 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.32 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1665498 | 0.80 | PARP1 (0.42) | CCR1CCR5CCR8GSK3AGSK3B | |
| SCHEMBL12778306 | 0.77 | TSHR (0.38) | GSK3AGSK3BCCNB2CDK1CCNB1 | |
| SCHEMBL12777919 | 0.77 | MAPK14 (0.34) | GSK3AGSK3BCCNB2CDK1CCNB1 | |
| SCHEMBL21620891 | 0.77 | NOS3 (0.41) | CCR1CCR5CCR8GSK3AGSK3B | |
| SCHEMBL21620456 | 0.77 | CCNB2 (0.40) | CCR1CCR5CCR8GSK3AGSK3B | |
| SCHEMBL8558723 | 0.77 | PSMD14 (0.38) | CCR1CCR5CCR8GSK3AGSK3B | |
| SCHEMBL12778307 | 0.77 | CDK5 (0.39) | GSK3AGSK3BCCNB2CDK1CCNB1 | |
| SCHEMBL14336690 | 0.74 | CCR1 (0.35) | CCR1CCR5CCR8GSK3AGSK3B | |
| SCHEMBL4370028 | 0.74 | ADORA1 (0.41) | CCR1CCR5CCR8GSK3AGSK3B | |
| SCHEMBL15925243 | 0.74 | DAO (0.40) | AURKA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011050160-A1 | PHARMACEUTICALS, COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME | BIOGEN IDEC MA INC. (US) | 2011-04-28 | — | — | WO | disclosed |