Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.70 |
| ▸ | HPGD | P15428 | 3/20 | 0.70 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | MPO | P05164 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | GLA | P06280 | 2/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.49 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | RNASEH1 | O60930 | 1/20 | 0.49 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.49 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.49 |
| ▸ | FEN1 | P39748 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5878601 | 0.85 | ALDH1A1 (0.82) | ALDH1A1HPGDKDM4EHSD17B10MAPK1 | |
| SCHEMBL7649471 | 0.84 | KDM4E (0.69) | ALDH1A1HPGDKDM4EHSD17B10MAPK1 | |
| SCHEMBL22716785 | 0.81 | CYP1A2 (0.65) | ALDH1A1HPGDKDM4EHSD17B10MAPK1 | |
| SCHEMBL31189218 | 0.81 | CYP1A2 (0.65) | ALDH1A1HPGDKDM4EHSD17B10MAPK1 | |
| SCHEMBL6295502 | 0.80 | ALDH1A1 (0.89) | ALDH1A1HPGDKDM4EHSD17B10MAPK1 | |
| SCHEMBL7650071 | 0.79 | KDM4E (0.58) | ALDH1A1HPGDKDM4EHSD17B10MAPK1 | |
| SCHEMBL25335252 | 0.77 | MPO (0.63) | ALDH1A1HPGDKDM4EHSD17B10MAPK1 | |
| SCHEMBL25333362 | 0.77 | ALDH1A1 (0.64) | ALDH1A1HPGDKDM4EHSD17B10MAPK1 | |
| SCHEMBL9545441 | 0.77 | ALDH1A1 (0.57) | ALDH1A1HPGDKDM4EHSD17B10MAPK1 | |
| SCHEMBL8074180 | 0.76 | ALDH1A1 (0.68) | ALDH1A1HPGDKDM4EHSD17B10MAPK1 |
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 |