Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 9/20 | 0.51 |
| ▸ | PDE4A | P27815 | 5/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | ESR1 | P03372 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | ACHE | P22303 | 1/20 | 0.51 |
| ▸ | BLM | P54132 | 1/20 | 0.51 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.47 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.46 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.46 |
| ▸ | TNF | P01375 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7463585 | 0.94 | PDE4A (0.57) | ADORA2BPDE4ALMNAMAPTESR1 | |
| SCHEMBL7465081 | 0.90 | ADORA2B (0.55) | ADORA2BPDE4ALMNAMAPTESR1 | |
| SCHEMBL7465863 | 0.90 | PDE4A (0.56) | ADORA2BPDE4ALMNAMAPTESR1 | |
| SCHEMBL7461545 | 0.90 | ADORA2B (0.48) | ADORA2BPDE4ALMNAMAPTESR1 | |
| SCHEMBL7457242 | 0.90 | PDE4A (0.53) | ADORA2BPDE4ALMNAMAPTESR1 | |
| SCHEMBL7457088 | 0.90 | PDE4A (0.64) | ADORA2BPDE4ALMNAMAPTESR1 | |
| SCHEMBL7453904 | 0.90 | ADORA2B (0.64) | ADORA2BLMNAMAPTADORA2AMAPK1 | |
| SCHEMBL7455860 | 0.89 | PDE4A (0.63) | ADORA2BPDE4ALMNAMAPTESR1 | |
| SCHEMBL7458412 | 0.88 | PDE4A (0.49) | ADORA2BPDE4ALMNAMAPTESR1 | |
| SCHEMBL8656830 | 0.88 | PDE4A (0.48) | ADORA2BPDE4ALMNAMAPTESR1 |
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-6362200-B1 | ANTICANCER AGENTS | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM | 2002-03-26 | — | — | US | disclosed |
| CN-1158855-A | Alkylxanthine phosphonates and alkylxanthine phosphine oxides and their use as pharmacueticals | HOECHST AG (DE) | 1997-09-10 | — | — | CN | disclosed |