Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.64 |
| ▸ | BLM | P54132 | 2/20 | 0.64 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.64 |
| ▸ | MAPT | P10636 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | ADORA2A | P29274 | 11/20 | 0.60 |
| ▸ | PDE4A | P27815 | 10/20 | 0.60 |
| ▸ | PDE4B | Q07343 | 10/20 | 0.60 |
| ▸ | PDE4C | Q08493 | 10/20 | 0.60 |
| ▸ | PDE4D | Q08499 | 10/20 | 0.60 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.56 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL26925735 | 0.89 | CYP3A4 (0.66) | CYP3A4BLMPMP22ALDH1A1LMNA | |
| SCHEMBL7403404 | 0.80 | ALDH1A1 (0.57) | CYP3A4BLMPMP22ALDH1A1LMNA | |
| SCHEMBL8061720 | 0.79 | LMNA (0.54) | CYP3A4BLMPMP22ALDH1A1LMNA | |
| SCHEMBL7101360 | 0.79 | BLM (0.54) | CYP3A4BLMPMP22ALDH1A1LMNA | |
| SCHEMBL11442354 | 0.79 | BLM (0.54) | CYP3A4BLMPMP22ALDH1A1LMNA | |
| SCHEMBL9844553 | 0.79 | PDE4A (0.56) | CYP3A4BLMPMP22ALDH1A1LMNA | |
| SCHEMBL6344281 | 0.78 | LMNA (0.52) | CYP3A4BLMPMP22ALDH1A1LMNA | |
| SCHEMBL6344284 | 0.78 | LMNA (0.52) | CYP3A4BLMPMP22ALDH1A1LMNA | |
| SCHEMBL6357569 | 0.78 | LMNA (0.52) | CYP3A4BLMPMP22ALDH1A1LMNA | |
| SCHEMBL12080148 | 0.78 | ADORA2A (0.47) | CYP3A4BLMPMP22ALDH1A1LMNA |
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 |