Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 2/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 7/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.44 |
| ▸ | CCR2 | P41597 | 2/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 4/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | CCR3 | P51677 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27598152 | 1.00 | CHEK2 (0.45) | CHEK2OPRK1ROCK1ROCK2KCNH2 | |
| SCHEMBL4991844 | 0.93 | OPRK1 (0.48) | CHEK2OPRK1ROCK1ROCK2KCNH2 | |
| SCHEMBL4991838 | 0.93 | OPRK1 (0.48) | CHEK2OPRK1ROCK1ROCK2KCNH2 | |
| SCHEMBL4995093 | 0.89 | CHEK2 (0.41) | CHEK2OPRK1ROCK1ROCK2KCNH2 | |
| SCHEMBL4995086 | 0.89 | CHEK2 (0.41) | CHEK2OPRK1ROCK1ROCK2KCNH2 | |
| SCHEMBL5253318 | 0.86 | OPRK1 (0.54) | CHEK2OPRK1ROCK1ROCK2KCNH2 | |
| SCHEMBL5252268 | 0.78 | HRH3 (0.53) | OPRK1ROCK1ROCK2KCNH2CCR2 | |
| SCHEMBL10608943 | 0.73 | ROCK1 (0.66) | CHEK2OPRK1ROCK1ROCK2KCNH2 | |
| SCHEMBL10609088 | 0.73 | HRH3 (0.53) | CHEK2OPRK1ROCK1ROCK2KCNH2 | |
| SCHEMBL10607825 | 0.72 | HRH3 (0.62) | CHEK2OPRK1ROCK1ROCK2CCR2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1639152-A | Pyrrole-2, 5-dione derivatives and their use as GSK-3 inhibitors | LILLY CO ELI (US) | 2005-07-13 | — | — | CN | disclosed |