Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 10/20 | 0.52 |
| ▸ | QPCT | Q16769 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL4985394 | 0.92 | GSK3B (0.53) | GSK3BEGFRADORA3ADORA2AADORA2B | |
| Hydrochloric Acid SCHEMBL5259095 | 0.90 | GSK3B (0.63) | GSK3BQPCT | |
| SCHEMBL4991291 | 0.86 | GSK3B (0.46) | GSK3B | |
| SCHEMBL4994634 | 0.86 | GSK3B (0.46) | GSK3B | |
| SCHEMBL6581578 | 0.84 | GSK3B (0.55) | GSK3BQPCTNPC1RAB9AADORA2A | |
| SCHEMBL4990655 | 0.83 | GSK3B (0.44) | GSK3B | |
| SCHEMBL4985209 | 0.82 | GSK3B (0.56) | GSK3B | |
| SCHEMBL4988608 | 0.76 | CCNT1 (0.52) | GSK3B | |
| SCHEMBL6582702 | 0.76 | GSK3B (0.56) | GSK3BNPC1RAB9AADORA2AADORA1 | |
| SCHEMBL4987619 | 0.75 | GSK3B (0.44) | GSK3B |
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 |
|---|---|---|---|---|---|---|---|
| EP-1487822-B1 | PYRROLE-2,5-DIONE DERIVATIVES AND THEIR USE AS GSK-3 INHIBITORS | LILLY CO ELI (US) | 2007-08-01 | — | — | EP | disclosed |