Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 4/20 | 0.47 |
| ▸ | GSK3A | P49840 | 3/20 | 0.47 |
| ▸ | CDK1 | P06493 | 2/20 | 0.47 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.45 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.45 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2911111 | 0.94 | GSK3B (0.46) | GSK3BGSK3ACDK1CCNB2CCNB1 | |
| SCHEMBL2912125 | 0.90 | GSK3B (0.46) | GSK3BGSK3ACDK1CCNB2CCNB1 | |
| SCHEMBL2907064 | 0.88 | GSK3B (0.46) | GSK3BGSK3ACDK1CCNB2CCNB1 | |
| SCHEMBL2911865 | 0.88 | GSK3B (0.45) | GSK3BGSK3ACDK1CCNB2CCNB1 | |
| SCHEMBL2904895 | 0.87 | GSK3B (0.48) | GSK3BGSK3ACDK1CCNB2CCNB1 | |
| SCHEMBL2910463 | 0.87 | POLB (0.52) | GSK3BGSK3ACDK1CCNB2CCNB1 | |
| SCHEMBL2904086 | 0.86 | HPGD (0.45) | GSK3BGSK3ACDK1CCNB2CCNB1 | |
| SCHEMBL2909816 | 0.86 | GSK3B (0.44) | GSK3BGSK3ACDK1CCNB2CCNB1 | |
| SCHEMBL2910290 | 0.85 | GSK3B (0.43) | GSK3BGSK3ACDK1CCNB2CCNB1 | |
| SCHEMBL2912039 | 0.85 | GSK3B (0.48) | GSK3BGSK3ACDK1CCNB2CCNB1 |
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-1537099-B1 | PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 | NOVARTIS VACCINES & DIAGNOSTIC (US) | 2010-08-11 | — | — | EP | disclosed |