Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 9/20 | 0.49 |
| ▸ | ADORA2B | P29275 | 9/20 | 0.49 |
| ▸ | PDE4A | P27815 | 3/20 | 0.48 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.48 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.48 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | THPO | P40225 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22105782 | 0.82 | ADORA2B (0.54) | ADORA2AADORA2BPDE4APDE4BPDE4C | |
| SCHEMBL20652758 | 0.77 | ADORA2A (0.49) | ADORA2AADORA2BPDE4APDE4BPDE4C | |
| SCHEMBL22105718 | 0.75 | ADORA2B (0.48) | ADORA2AADORA2BPDE4APDE4BPDE4C | |
| SCHEMBL22109856 | 0.74 | MEN1 (0.56) | HSD17B10HPGDKDM4EALDH1A1TSHR | |
| SCHEMBL3479031 | 0.73 | ADORA2B (0.67) | ADORA2AADORA2BPDE4APDE4BPDE4C | |
| SCHEMBL22105773 | 0.71 | ADORA2B (0.45) | ADORA2AADORA2BPDE4APDE4BPDE4C | |
| SCHEMBL25089892 | 0.71 | ADORA2B (0.58) | ADORA2AADORA2BADORA1HSD17B10HPGD | |
| SCHEMBL7866617 | 0.71 | ADORA2B (0.62) | ADORA2AADORA2BPDE4APDE4BPDE4C | |
| SCHEMBL25996687 | 0.70 | TPH1 (0.52) | HSD17B10HPGDKDM4EALDH1A1TSHR | |
| SCHEMBL12233275 | 0.70 | ADORA2A (0.55) | ADORA2AADORA2BPDE4APDE4BPDE4C |
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-3894409-B1 | SUBSTITUTED XANTHINE DERIVATIVES | BOEHRINGER INGELHEIM INT (DE) | 2023-08-23 | — | — | EP | disclosed |
| WO-2020120449-A1 | SUBSTITUTED XANTHINE DERIVATIVES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2020-06-18 | — | — | WO | disclosed |