Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 8/20 | 0.61 |
| ▸ | LMNA | P02545 | 2/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.61 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.61 |
| ▸ | ACHE | P22303 | 2/20 | 0.61 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.61 |
| ▸ | ESR1 | P03372 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 1/20 | 0.61 |
| ▸ | BLM | P54132 | 1/20 | 0.61 |
| ▸ | PDE4B | Q07343 | 7/20 | 0.57 |
| ▸ | PDE4C | Q08493 | 7/20 | 0.57 |
| ▸ | PDE4D | Q08499 | 7/20 | 0.57 |
| ▸ | ADORA2B | P29275 | 6/20 | 0.57 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.57 |
| ▸ | TNF | P01375 | 3/20 | 0.57 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.57 |
| ▸ | USP2 | O75604 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL11217388 | 0.94 | PDE4A (0.67) | PDE4ALMNACYP1A2NFKB1ACHE | |
| SCHEMBL9681012 | 0.91 | PDE4A (0.74) | PDE4ALMNACYP1A2NFKB1ACHE | |
| SCHEMBL11496438 | 0.90 | PDE4A (0.72) | PDE4ALMNACYP1A2NFKB1ACHE | |
| SCHEMBL11442061 | 0.84 | RXFP1 (0.71) | PDE4ALMNACYP1A2NFKB1ACHE | |
| SCHEMBL11496625 | 0.83 | RXFP1 (0.69) | PDE4ALMNACYP1A2NFKB1ACHE | |
| SCHEMBL3179304 | 0.82 | PDE4A (0.73) | PDE4ACYP1A2PMP22BLMPDE4B | |
| SCHEMBL3737350 | 0.82 | ADORA2B (0.71) | PDE4ACYP1A2PDE4BPDE4CPDE4D | |
| SCHEMBL10873386 | 0.81 | PDE4A (0.77) | PDE4ALMNACYP1A2NFKB1ACHE | |
| SCHEMBL7793096 | 0.81 | PDE4A (0.84) | PDE4ALMNACYP1A2NFKB1ACHE | |
| SCHEMBL4298923 | 0.81 | PDE4A (0.69) | PDE4ALMNACYP1A2NFKB1ACHE |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-55076877-A | — | — | None | — | — | JP | disclosed |
| JP-55076877-A | — | — | None | — | — | JP | disclosed |
| US-7253176-B1 | Immunosuppressive effects of 8-substituted xanthine derivatives | K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) | 2007-08-07 | — | — | US | disclosed |
| EP-0956855-B1 | Immunosuppressive effects of 8 substituted xanthine derivatives | LEUVEN K U RES & DEV (BE) | 2003-03-12 | — | — | EP | disclosed |
| EP-0956855-A1 | Immunosuppressive effects of 8-substituted xanthine derivatives | K.U. Leuven Research & Development (BE) | 1999-11-17 | — | — | EP | disclosed |
| JP-S5576877-A | PREPARATION OF 1-(5-OXOHEXYL)-3,7-DIALKYLXANTHINE | SHIRATORI SEIYAKU KK | 1980-06-10 | — | — | JP | disclosed |
| JP-S5576877-A | PREPARATION OF 1-(5-OXOHEXYL)-3,7-DIALKYLXANTHINE | SHIRATORI SEIYAKU KK | 1980-06-10 | — | — | JP | disclosed |