Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 1/20 | 0.54 |
| ▸ | HPGDS | O60760 | 9/20 | 0.51 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.50 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.50 |
| ▸ | PKN2 | Q16513 | 2/20 | 0.47 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.47 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.45 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.45 |
| ▸ | PRKACA | P17612 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | GSK3A | P49840 | 1/20 | 0.45 |
| ▸ | GSK3B | P49841 | 1/20 | 0.45 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.45 |
| ▸ | PRKX | P51817 | 1/20 | 0.45 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6222474 | 0.81 | IKBKB (0.59) | IKBKBPKN2PKN1CHEK2HDAC3 | |
| SCHEMBL6221885 | 0.80 | IKBKB (0.58) | IKBKBPKN2PKN1CHEK2HDAC3 | |
| SCHEMBL6223457 | 0.80 | IKBKB (0.58) | IKBKBPKN2PKN1CHEK2HDAC3 | |
| SCHEMBL3996824 | 0.78 | HDAC6 (0.60) | CHEK2HDAC3HDAC1HDAC8HDAC6 | |
| SCHEMBL12320657 | 0.77 | HPGDS (0.64) | HPGDSROCK2ROCK1PKN2RPS6KA5 | |
| Trifluoroacetic Acid SCHEMBL6226717 | 0.76 | IKBKB (0.54) | IKBKBPKN2PKN1HDAC3HDAC1 | |
| Trifluoroacetic Acid SCHEMBL6226719 | 0.76 | IKBKB (0.54) | IKBKBPKN2PKN1CHEK2HDAC3 | |
| SCHEMBL6220797 | 0.76 | IKBKB (0.53) | IKBKBPKN2PKN1CHEK2HDAC3 | |
| SCHEMBL7651442 | 0.76 | IKBKB (0.53) | IKBKBPKN2PKN1CHEK2HDAC3 | |
| SCHEMBL7921841 | 0.75 | IKBKB (0.41) | IKBKBROCK2ROCK1CHEK2HDAC3 |
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-2008133884-A2 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS | COMBINATORX, INCORPORATED (US) | 2008-11-06 | — | — | WO | disclosed |