Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.62 |
| ▸ | PDE4A | P27815 | 3/20 | 0.56 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.56 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.56 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.56 |
| ▸ | ADORA2B | P29275 | 9/20 | 0.55 |
| ▸ | LMNA | P02545 | 4/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.53 |
| ▸ | ACHE | P22303 | 2/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.53 |
| ▸ | ESR1 | P03372 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | TNF | P01375 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL24559323 | 0.92 | RXFP1 (0.70) | RXFP1MAPK1PDE4APDE4BPDE4C | |
| SCHEMBL11077091 | 0.87 | ADORA2B (0.58) | RXFP1MAPK1PDE4APDE4BPDE4C | |
| SCHEMBL10967382 | 0.86 | MAPK1 (0.82) | RXFP1MAPK1PDE4APDE4BPDE4C | |
| SCHEMBL24559396 | 0.84 | ADORA2B (0.73) | RXFP1MAPK1PDE4APDE4BPDE4C | |
| SCHEMBL24559134 | 0.84 | RXFP1 (0.56) | RXFP1MAPK1PDE4AADORA2BLMNA | |
| SCHEMBL24559132 | 0.83 | TNF (0.59) | RXFP1MAPK1ADORA2BLMNAMAPT | |
| SCHEMBL24559298 | 0.82 | ADORA2B (0.61) | RXFP1MAPK1PDE4APDE4BPDE4C | |
| SCHEMBL24559305 | 0.82 | ADORA2B (0.74) | RXFP1MAPK1ADORA2BLMNAMAPT | |
| SCHEMBL24559089 | 0.79 | ADORA2B (0.61) | RXFP1MAPK1ADORA2BLMNAMAPT | |
| SCHEMBL22521931 | 0.79 | TNF (0.60) | RXFP1MAPK1ADORA2BLMNASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4454138-A | TREATMENT OF VASCULAR DISEASES | Wuelfing, Johann A. (DE) | 1984-06-12 | — | — | US | disclosed |
| EP-0018136-A1 | Xanthine derivatives, a process for their preparation and their use in pharmaceutical compositions | BEECHAM - WUELFING GmbH & Co. KG (DE) | 1980-10-29 | — | — | EP | disclosed |