Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 11/20 | 0.54 |
| ▸ | PDE4B | Q07343 | 10/20 | 0.54 |
| ▸ | PDE4C | Q08493 | 10/20 | 0.54 |
| ▸ | PDE4D | Q08499 | 10/20 | 0.54 |
| ▸ | ADORA2A | P29274 | 8/20 | 0.54 |
| ▸ | ADORA2B | P29275 | 7/20 | 0.54 |
| ▸ | CNOT7 | Q9UIV1 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11458768 | 0.89 | PDE4A (0.63) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL9056614 | 0.89 | PDE4A (0.56) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL9057453 | 0.87 | PDE4A (0.60) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL7033527 | 0.86 | PDE4A (0.58) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL7360054 | 0.86 | PDE4A (0.56) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL9056089 | 0.86 | PDE4A (0.54) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL11469431 | 0.86 | PDE4A (0.71) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL9056147 | 0.85 | ADORA2B (0.56) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL3847240 | 0.85 | PDE4A (0.55) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL9055007 | 0.85 | PDE4A (0.53) | PDE4APDE4BPDE4CPDE4DADORA2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0413278-B1 | Use of xanthine derivatives against peptic ulcers | HOECHST JAPAN (JP) | 1996-11-06 | — | — | EP | disclosed |
| US-5109003-A | METHOD FOR THE TREATMENT OF PEPTIC ULCER DISEASE | HOECHST JAPAN LIMITED (JP) | 1992-04-28 | — | — | US | disclosed |
| EP-0413278-A2 | Use of xanthine derivatives against peptic ulcers | HOECHST JAPAN LIMITED (JP) | 1991-02-20 | — | — | EP | disclosed |