Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 7/20 | 0.61 |
| ▸ | PDE4A | P27815 | 4/20 | 0.56 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.56 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.56 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.56 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.52 |
| ▸ | ACHE | P22303 | 2/20 | 0.52 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.52 |
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | BLM | P54132 | 1/20 | 0.52 |
| ▸ | TNF | P01375 | 2/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL9056147 | 0.90 | ADORA2B (0.56) | ADORA2BPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9056614 | 0.89 | PDE4A (0.56) | ADORA2BPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10346307 | 0.89 | LMNA (0.61) | ADORA2BPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10346304 | 0.86 | LMNA (0.56) | ADORA2BPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL19601304 | 0.86 | PDE4A (0.58) | ADORA2BPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5427270 | 0.85 | PDE4A (0.70) | ADORA2BPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL11666281 | 0.85 | ADORA2B (0.65) | ADORA2BPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7358934 | 0.84 | PDE4A (0.69) | ADORA2BPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7030926 | 0.84 | PDE4A (0.62) | ADORA2BPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10346301 | 0.83 | ADORA2B (0.63) | ADORA2BPDE4APDE4BPDE4CPDE4D |
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 |