Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.71 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.71 |
| ▸ | TP53 | P04637 | 2/20 | 0.71 |
| ▸ | HPGD | P15428 | 2/20 | 0.71 |
| ▸ | CACNA1D | Q01668 | 4/20 | 0.68 |
| ▸ | CACNA1F | O60840 | 3/20 | 0.68 |
| ▸ | CACNA1S | Q13698 | 3/20 | 0.68 |
| ▸ | CACNA1C | Q13936 | 3/20 | 0.68 |
| ▸ | MAPT | P10636 | 3/20 | 0.63 |
| ▸ | MEN1 | O00255 | 2/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.63 |
| ▸ | LMNA | P02545 | 1/20 | 0.63 |
| ▸ | GAA | P10253 | 1/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.63 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.62 |
| ▸ | CA1 | P00915 | 1/20 | 0.62 |
| ▸ | CA2 | P00918 | 1/20 | 0.62 |
| ▸ | POLB | P06746 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL10475395 | 0.95 | ALDH1A1 (0.78) | ADORA3ALDH1A1KDM4EHSD17B10TP53 | |
| SCHEMBL10475396 | 0.91 | CACNA1B (0.74) | ADORA3ALDH1A1KDM4EHSD17B10TP53 | |
| SCHEMBL24469031 | 0.90 | ALDH1A1 (0.68) | ADORA3ALDH1A1KDM4EHSD17B10TP53 | |
| SCHEMBL9505249 | 0.87 | ALDH1A1 (0.67) | ADORA3ALDH1A1KDM4EHSD17B10TP53 | |
| SCHEMBL20610477 | 0.85 | ADORA3 (1.00) | ADORA3ALDH1A1KDM4EHSD17B10TP53 | |
| SCHEMBL3905675 | 0.85 | ADORA3 (0.83) | ADORA3ALDH1A1KDM4EHSD17B10TP53 | |
| SCHEMBL4935843 | 0.84 | KDM4E (0.82) | ADORA3ALDH1A1KDM4EHSD17B10TP53 | |
| SCHEMBL11776554 | 0.83 | KDM4E (0.56) | ADORA3ALDH1A1KDM4EHSD17B10TP53 | |
| SCHEMBL10732135 | 0.83 | MAPT (0.64) | ADORA3ALDH1A1KDM4EHSD17B10TP53 | |
| SCHEMBL9502940 | 0.83 | MEN1 (0.79) | ADORA3CACNA1DCACNA1FCACNA1SCACNA1C |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996033972-A1 | METHODS FOR SYNTHESIZING DIVERSE COLLECTIONS OF PYRIDINES, PYRIMIDINES, 1,4-DIHYDRO DERIVATIVES THEREOF, AND PIPERIDINE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 1996-10-31 | — | — | WO | disclosed |