Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 8/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.56 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.56 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | DPP4 | P27487 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TYMP | P19971 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7834105 | 0.83 | ALDH1A1 (0.55) | KDM4EALDH1A1HPGDMEN1CYP3A4 | |
| SCHEMBL7847301 | 0.82 | TYMP (0.43) | ADORA2BADORA3ADORA1ADORA2AKDM4E | |
| SCHEMBL2673231 | 0.81 | TYMP (0.50) | ADORA2BADORA3ADORA1ADORA2AKDM4E | |
| SCHEMBL11680284 | 0.76 | KDM4E (0.46) | ADORA2BADORA3ADORA1KDM4EDPP4 | |
| SCHEMBL30799166 | 0.72 | MAPT (0.47) | ADORA2BADORA3ADORA1ADORA2AKDM4E | |
| SCHEMBL10429700 | 0.72 | ALDH1A1 (0.56) | ADORA2BADORA3ADORA1ADORA2AKDM4E | |
| SCHEMBL9050369 | 0.71 | ADORA2B (0.60) | ADORA2BADORA3ADORA1ADORA2AKDM4E | |
| SCHEMBL29494961 | 0.71 | ADORA2B (1.00) | ADORA2BADORA3ADORA1ADORA2AKDM4E | |
| SCHEMBL8692730 | 0.70 | CYP1A2 (0.76) | ADORA2BADORA3ADORA1ADORA2AKDM4E | |
| SCHEMBL30799260 | 0.69 | MAPT (0.40) | ADORA2BADORA3ADORA1ADORA2AALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0442473-B1 | Pyrimidinedione derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1998-08-19 | — | — | EP | disclosed |
| EP-0404525-B1 | Sulfur-containing fused pyrimidine derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1996-05-15 | — | — | EP | disclosed |
| US-5162326-A | Antagonists for angeotensin; hypotensive agents; treatment for heart diseases, strokes | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-11-10 | — | — | US | disclosed |
| US-5082838-A | Antiinflammatory, immune diseases | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-01-21 | — | — | US | disclosed |
| EP-0442473-A1 | Pyrimidinedione derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1991-08-21 | — | — | EP | disclosed |
| EP-0404525-A2 | Sulfur-containing fused pyrimidine derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1990-12-27 | — | — | EP | disclosed |