Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.38 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 3/20 | 0.36 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.36 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.35 |
| ▸ | ALPL | P05186 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.33 |
| ▸ | GSK3A | P49840 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19499252 | 0.84 | ROCK2 (0.48) | ROCK2USP30CHEK2KCNH2 | |
| SCHEMBL789862 | 0.79 | ALPL (0.46) | ROCK2USP30DGAT1ALPLGSK3A | |
| SCHEMBL29604061 | 0.79 | ALPL (0.46) | ROCK2USP30DGAT1ALPLGSK3A | |
| SCHEMBL3342229 | 0.79 | OPRK1 (0.51) | — | |
| SCHEMBL19499254 | 0.77 | KCNH2 (0.42) | ROCK2USP30IRAK4KCNH2 | |
| SCHEMBL3345874 | 0.77 | CHEK1 (0.37) | CHEK1CHEK2PIK3CDPIK3CAPIK3CB | |
| SCHEMBL25932086 | 0.76 | LRRK2 (0.37) | ROCK2USP30ALPLPIK3CD | |
| SCHEMBL16175408 | 0.76 | MALT1 (0.37) | ROCK2USP30KCNH2 | |
| SCHEMBL3448683 | 0.75 | GAA (0.41) | PIK3CDPIK3CAPIK3CBPIK3CG | |
| SCHEMBL19468772 | 0.75 | ROCK2 (0.46) | ROCK2USP30DGAT1ALPLKCNH2 |
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-2010038081-A2 | HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF | ASTRAZENECA AB (SE) | 2010-04-08 | — | — | WO | disclosed |