Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | GLS | O94925 | 2/20 | 0.39 |
| ▸ | CDK8 | P49336 | 4/20 | 0.38 |
| ▸ | AXL | P30530 | 2/20 | 0.38 |
| ▸ | ABL1 | P00519 | 2/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.37 |
| ▸ | ROS1 | P08922 | 3/20 | 0.37 |
| ▸ | FLT4 | P35916 | 3/20 | 0.37 |
| ▸ | KDR | P35968 | 3/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.37 |
| ▸ | MINK1 | Q8N4C8 | 3/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.37 |
| ▸ | MAP4K5 | Q9Y4K4 | 3/20 | 0.37 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.37 |
| ▸ | CDK1 | P06493 | 2/20 | 0.37 |
| ▸ | FES | P07332 | 2/20 | 0.37 |
| ▸ | FER | P16591 | 2/20 | 0.37 |
| ▸ | IRAK1 | P51617 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7945422 | 0.85 | NFKB1 (0.41) | NFKB1NFKB2RELAGLSCDK8 | |
| SCHEMBL12831001 | 0.79 | NFKB1 (0.42) | NFKB1NFKB2RELAGLSROCK1 | |
| SCHEMBL12756753 | 0.79 | NFKB1 (0.43) | NFKB1NFKB2RELAGLSMEN1 | |
| SCHEMBL12831315 | 0.78 | NFKB1 (0.43) | NFKB1NFKB2RELAGLSROCK1 | |
| SCHEMBL12831055 | 0.78 | NFKB1 (0.42) | NFKB1NFKB2RELAGLSROCK1 | |
| SCHEMBL12830159 | 0.74 | HDAC1 (0.45) | NFKB1NFKB2RELACDK8AXL | |
| SCHEMBL12831308 | 0.73 | ALDH1A1 (0.44) | NFKB1NFKB2RELAGLSLMNA | |
| SCHEMBL12756756 | 0.71 | GLS (0.49) | NFKB1NFKB2RELAGLSMEN1 | |
| SCHEMBL27260532 | 0.70 | HDAC6 (0.54) | NFKB1NFKB2RELAGLSABL1 | |
| SCHEMBL12756745 | 0.69 | GLS (0.42) | GLSROCK1MEN1LMNAMAPT |
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-2011034962-A2 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | CALCIMEDICA INC. (US) | 2011-03-24 | — | — | WO | disclosed |