Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3A | P49840 | 2/20 | 0.48 |
| ▸ | GSK3B | P49841 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.42 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6027988 | 0.83 | TSHR (0.52) | GSK3AGSK3BALDH1A1KDM4EGAA | |
| SCHEMBL6028433 | 0.79 | HTT (0.54) | GSK3AGSK3BALDH1A1KDM4EGAA | |
| SCHEMBL10038008 | 0.74 | ALDH1A1 (0.41) | GSK3AGSK3BALDH1A1KDM4EGAA | |
| SCHEMBL6027946 | 0.73 | KDM4E (0.56) | GSK3AGSK3BALDH1A1KDM4EGAA | |
| SCHEMBL4578818 | 0.73 | CETP (0.44) | GSK3AMEN1KMT2A | |
| SCHEMBL713237 | 0.72 | CETP (0.44) | GSK3AMEN1KMT2A | |
| SCHEMBL5816033 | 0.71 | KDM4E (0.58) | GSK3AGSK3BALDH1A1KDM4EGAA | |
| SCHEMBL5821977 | 0.69 | NPSR1 (0.53) | GSK3AGSK3BALDH1A1KDM4EGAA | |
| SCHEMBL6028459 | 0.68 | EGFR (0.58) | GSK3AGSK3BALDH1A1KDM4EGAA | |
| SCHEMBL6461742 | 0.68 | ALDH1A1 (0.68) | GSK3AGSK3BALDH1A1KDM4EGAA |
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-1663227-A2 | DIHYDROPYRIDINE COMPOUNDS FOR TREATING OR PREVENTING METABOLIC DISORDERS | Synta Pharmaceuticals Corporation (US) | 2006-06-07 | — | — | EP | disclosed |
| WO-2005025507-A2 | DIHYDROPYRIDINE COMPOUNDS FOR TREATING OR PREVENTING METABOLIC DISORDERS | SYNTA PHAMACEUTICALS CORP. (US) | 2005-03-24 | — | — | WO | disclosed |