Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 5/20 | 0.63 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.63 |
| ▸ | CCR2 | P41597 | 2/20 | 0.63 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | MAOA | P21397 | 1/20 | 0.55 |
| ▸ | MAOB | P27338 | 1/20 | 0.55 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.55 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL11068503 | 0.88 | ROCK1 (0.70) | ROCK1ROCK2CCR2HRH3SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL11066763 | 0.87 | ROCK1 (0.68) | ROCK1ROCK2CCR2HRH3SMN1; SMN2 | |
| SCHEMBL11066614 | 0.84 | ROCK1 (0.64) | ROCK1ROCK2CCR2HRH3SMN1; SMN2 | |
| SCHEMBL12192827 | 0.83 | ROCK1 (0.76) | ROCK1ROCK2CCR2HRH3SMN1; SMN2 | |
| SCHEMBL10608943 | 0.81 | ROCK1 (0.66) | ROCK1ROCK2CCR2HRH3SMN1; SMN2 | |
| SCHEMBL4855546 | 0.79 | HRH3 (0.74) | ROCK1ROCK2CCR2HRH3SMN1; SMN2 | |
| SCHEMBL10605870 | 0.79 | HRH1 (0.66) | ROCK1ROCK2CCR2HRH3SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL10609013 | 0.78 | HRH1 (0.65) | ROCK1ROCK2CCR2HRH3SMN1; SMN2 | |
| SCHEMBL5639760 | 0.77 | ROCK2 (1.00) | ROCK1ROCK2CCR2HRH3SMN1; SMN2 | |
| SCHEMBL8393625 | 0.77 | HRH3 (0.71) | ROCK1ROCK2CCR2HRH3SMN1; SMN2 |
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 |