Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 3/20 | 0.34 |
| ▸ | GSK3A | P49840 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | ALOX5AP | P20292 | 3/20 | 0.33 |
| ▸ | FEN1 | P39748 | 3/20 | 0.33 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | CDK1 | P06493 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2904664 | 1.00 | CYP1A2 (0.34) | CYP1A2CYP2C19LMNAGSK3BGSK3A | |
| SCHEMBL2909788 | 0.93 | GSK3B (0.34) | CYP1A2CYP2C19LMNAGSK3BGSK3A | |
| SCHEMBL2912533 | 0.93 | GSK3B (0.34) | CYP1A2CYP2C19LMNAGSK3BGSK3A | |
| SCHEMBL2904127 | 0.92 | MET (0.35) | LMNAGSK3BGSK3AALDH1A1SMN1; SMN2 | |
| SCHEMBL2910371 | 0.92 | ALDH1A1 (0.41) | LMNAGSK3BGSK3AALDH1A1SMN1; SMN2 | |
| SCHEMBL2911532 | 0.92 | ALDH1A1 (0.41) | LMNAGSK3BGSK3AALDH1A1SMN1; SMN2 | |
| SCHEMBL2911193 | 0.92 | MET (0.35) | LMNAGSK3BGSK3AALDH1A1SMN1; SMN2 | |
| SCHEMBL2911770 | 0.92 | GSK3B (0.34) | CYP1A2CYP2C19GSK3BGSK3AALDH1A1 | |
| SCHEMBL2913257 | 0.92 | GSK3B (0.34) | CYP1A2CYP2C19GSK3BGSK3AALDH1A1 | |
| SCHEMBL2910232 | 0.91 | MAPT (0.34) | LMNAGSK3BGSK3AALDH1A1SMN1; 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 |
|---|---|---|---|---|---|---|---|
| EP-1537099-B1 | PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 | NOVARTIS VACCINES & DIAGNOSTIC (US) | 2010-08-11 | — | — | EP | disclosed |