Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 7/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 7/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 7/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 7/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TK1 | P04183 | 1/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | BRD2 | P25440 | 1/20 | 0.37 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.37 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4623458 | 0.80 | PDE4A (0.63) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL6251096 | 0.77 | PDE4A (0.64) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL3990425 | 0.75 | PDE4A (0.57) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL8355211 | 0.74 | PNP (0.44) | MEN1KMT2AALDH1A1TK1BLM | |
| SCHEMBL4626797 | 0.73 | BRD4 (0.65) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL7672450 | 0.71 | PNP (0.63) | MEN1KMT2AALDH1A1TK1BLM | |
| SCHEMBL16510025 | 0.68 | POLB (0.42) | KMT2AADORA2BPOLBGAANPSR1 | |
| SCHEMBL9200960 | 0.68 | ALDH1A1 (0.51) | ADORA2AALDH1A1TK1ADORA2BBLM | |
| SCHEMBL5476039 | 0.68 | TK1 (0.67) | TK1HPGD | |
| SCHEMBL5789121 | 0.68 | KDM4E (0.55) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1999031101-A1 | ADENOSINE RECEPTOR ANTAGONISTS WITH IMPROVED BIOACTIVITY | UNIVERSITY OF SOUTH FLORIDA (US) | 1999-06-24 | — | — | WO | disclosed |