Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 9/20 | 0.49 |
| ▸ | PDE4A | P27815 | 14/20 | 0.47 |
| ▸ | PDE4B | Q07343 | 13/20 | 0.47 |
| ▸ | PDE4C | Q08493 | 13/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 13/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 6/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | BLM | P54132 | 2/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10811527 | 0.96 | PDE4A (0.46) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10811479 | 0.95 | ADORA2A (0.44) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10810766 | 0.94 | ADORA2A (0.43) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10813975 | 0.89 | PDE4A (0.46) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9683380 | 0.83 | ADORA2A (0.62) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10815371 | 0.83 | ADORA2A (0.51) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9681672 | 0.82 | ALDH1A1 (0.53) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9294204 | 0.82 | ADORA2A (0.50) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9294300 | 0.79 | PDE4A (0.51) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9294500 | 0.78 | ADORA2A (0.59) | ADORA2APDE4APDE4BPDE4CPDE4D |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4713455-A | FOR OBSTRUCTIVE DISORDERS OF THE RESPIRATORY TRACT | HOECHST AKTIENGESELLSCHAFT (DE) | 1987-12-15 | — | — | US | disclosed |
| US-4616020-A | TREATING OBSTRUCTIVE RESPIRATORY DISEASES | HOECHST AKTIENGESELLSCHAFT (DE) | 1986-10-07 | — | — | US | disclosed |
| EP-0075850-B1 | PHARMACEUTICAL PREPARATIONS CONTAINING VICINAL DIHYDROXYALKYL XANTHINES, PROCESS FOR THE PREPARATION OF THE XANTHINES AND THE APPROPRIATE INTERMEDIATES THEREFOR | HOECHST AKTIENGESELLSCHAFT (DE) | 1985-12-18 | — | — | EP | disclosed |
| EP-0075850-A2 | Pharmaceutical preparations containing vicinal dihydroxyalkyl xanthines, process for the preparation of the xanthines and the appropriate intermediates therefor | HOECHST AKTIENGESELLSCHAFT (DE) | 1983-04-06 | — | — | EP | disclosed |