Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.45 |
| ▸ | GSK3B | P49841 | 6/20 | 0.40 |
| ▸ | GSK3A | P49840 | 4/20 | 0.40 |
| ▸ | ACHE | P22303 | 3/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | LYN | P07948 | 1/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5252434 | 0.98 | SIGMAR1 (0.45) | SIGMAR1GSK3BGSK3AACHEMAOA | |
| SCHEMBL5252064 | 0.90 | GSK3B (0.41) | GSK3BGSK3A | |
| SCHEMBL5257697 | 0.90 | GSK3B (0.40) | GSK3BGSK3AMAOAMAOB | |
| Hydrochloric Acid SCHEMBL5256878 | 0.89 | SIGMAR1 (0.44) | SIGMAR1GSK3BGSK3AACHEXDH | |
| SCHEMBL5256883 | 0.89 | GSK3B (0.42) | GSK3BGSK3A | |
| Hydrochloric Acid SCHEMBL5254194 | 0.89 | SIGMAR1 (0.43) | SIGMAR1GSK3BGSK3AACHELYN | |
| SCHEMBL5253874 | 0.88 | GSK3B (0.41) | GSK3BGSK3A | |
| SCHEMBL5252491 | 0.88 | SIGMAR1 (0.45) | SIGMAR1GSK3BGSK3AACHEMAOA | |
| Hydrochloric Acid SCHEMBL5255252 | 0.85 | SIGMAR1 (0.42) | SIGMAR1GSK3BGSK3AMAOAMAOB | |
| Hydrochloric Acid SCHEMBL5253479 | 0.85 | GSK3B (0.47) | SIGMAR1GSK3BGSK3A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1487822-B1 | PYRROLE-2,5-DIONE DERIVATIVES AND THEIR USE AS GSK-3 INHIBITORS | LILLY CO ELI (US) | 2007-08-01 | — | — | EP | disclosed |
| CN-1639152-A | Pyrrole-2, 5-dione derivatives and their use as GSK-3 inhibitors | LILLY CO ELI (US) | 2005-07-13 | — | — | CN | disclosed |