Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 3/20 | 0.36 |
| ▸ | CDK2 | P24941 | 2/20 | 0.36 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | ROS1 | P08922 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | PRKACA | P17612 | 1/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.36 |
| ▸ | CLK2 | P49760 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.36 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.36 |
| ▸ | PRKX | P51817 | 1/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.36 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.36 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 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 | |
|---|---|---|---|---|
| SCHEMBL4895976 | 0.75 | AKT1 (0.38) | AKT1CDK2DYRK3ROCK2PRKD3 | |
| SCHEMBL8489958 | 0.75 | FFAR2 (0.34) | ALDH1A1 | |
| SCHEMBL8488040 | 0.69 | HTT (0.35) | ALDH1A1SMN1; SMN2TDP1 | |
| SCHEMBL8492036 | 0.69 | ABCB1 (0.32) | ALDH1A1 | |
| SCHEMBL8486725 | 0.66 | ABCB1 (0.33) | NAMPTKDM4EALDH1A1MAPK1 | |
| SCHEMBL8488050 | 0.65 | FFAR2 (0.39) | — | |
| SCHEMBL19476153 | 0.64 | NAMPT (0.53) | ROCK2ROCK1NAMPTCYP2C9 | |
| SCHEMBL25419075 | 0.60 | DGAT1 (0.37) | AKT1CDK2DYRK3ROCK2PRKD3 | |
| SCHEMBL30481298 | 0.60 | DGAT1 (0.37) | AKT1CDK2DYRK3ROCK2PRKD3 | |
| SCHEMBL6355545 | 0.59 | CYP11B2 (0.61) | AKT1CDK2CDC7CCNE1DBF4 |
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-2008036308-A2 | AMINO-SUBSTITUTED HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | SIGNAL PHARMACEUTICALS, LLC (US) | 2008-03-27 | — | — | WO | disclosed |