Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.50 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | RNASEH1 | O60930 | 1/20 | 0.47 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.47 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.47 |
| ▸ | FEN1 | P39748 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7653151 | 0.85 | KDM4E (0.44) | SMN1; SMN2NPC1GAAADORA3HSD17B10 | |
| SCHEMBL7656051 | 0.85 | ADORA3 (0.50) | SMN1; SMN2NPC1GAAADORA3ADORA2A | |
| SCHEMBL7649595 | 0.85 | KDM4E (0.47) | SMN1; SMN2NPC1GAAHSD17B10MAPT | |
| SCHEMBL7655615 | 0.84 | SMN1; SMN2 (0.45) | SMN1; SMN2NPC1GAAADORA3ADORA2A | |
| SCHEMBL7648344 | 0.83 | CA9 (0.51) | GAAHSD17B10KDM4ECA12CA9 | |
| SCHEMBL7649684 | 0.83 | CA12 (0.51) | SMN1; SMN2CYP1A2HSD17B10MAPTCA12 | |
| SCHEMBL7651932 | 0.83 | FEN1 (0.51) | SMN1; SMN2MAPTKDM4EFEN1ALDH1A1 | |
| SCHEMBL7651842 | 0.83 | CA12 (0.51) | SMN1; SMN2NPC1GAAADORA3HSD17B10 | |
| SCHEMBL7651738 | 0.81 | SMN1; SMN2 (0.43) | SMN1; SMN2NPC1GAAADORA3HSD17B10 | |
| SCHEMBL7651882 | 0.80 | ADORA3 (0.54) | SMN1; SMN2NPC1GAAADORA3ADORA2A |
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 |
|---|---|---|---|---|---|---|---|
| US-6407116-B1 | 2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLINE DERIVATIVES; ANTIALLERGENS, ANTIASTHMATICS, ANTIHISTAMINES, AND ANTIINFLAMMATORY AGENTS | TAKEDA CHEMICAL INDUSTRIES, INC. (JP) | 2002-06-18 | — | — | US | disclosed |
| EP-1026160-A1 | NITROGENOUS FUSED-RING COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME, AND DRUGS | Takeda Chemical Industries, Ltd. (JP) | 2000-08-09 | — | — | EP | disclosed |