Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | GSK3B | P49841 | 4/20 | 0.40 |
| ▸ | GSK3A | P49840 | 3/20 | 0.40 |
| ▸ | AHR | P35869 | 2/20 | 0.37 |
| ▸ | CDK1 | P06493 | 2/20 | 0.37 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.36 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MITF | O75030 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2910371 | 1.00 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2GSK3BGSK3AAHR | |
| SCHEMBL2909788 | 0.93 | GSK3B (0.34) | ALDH1A1SMN1; SMN2GSK3BGSK3ACDK1 | |
| SCHEMBL2912533 | 0.93 | GSK3B (0.34) | ALDH1A1SMN1; SMN2GSK3BGSK3ACDK1 | |
| SCHEMBL2911906 | 0.92 | CYP1A2 (0.34) | ALDH1A1SMN1; SMN2GSK3BGSK3ACDK1 | |
| SCHEMBL2904127 | 0.92 | MET (0.35) | ALDH1A1SMN1; SMN2GSK3BGSK3ALMNA | |
| SCHEMBL2904664 | 0.92 | CYP1A2 (0.34) | ALDH1A1SMN1; SMN2GSK3BGSK3ACDK1 | |
| SCHEMBL2911193 | 0.92 | MET (0.35) | ALDH1A1SMN1; SMN2GSK3BGSK3ALMNA | |
| SCHEMBL2910313 | 0.92 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2GSK3BGSK3ACDK1 | |
| SCHEMBL2911799 | 0.92 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2GSK3BGSK3ACDK1 | |
| SCHEMBL2911770 | 0.92 | GSK3B (0.34) | ALDH1A1SMN1; SMN2GSK3BGSK3AFOLH1 |
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 |