Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 5/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 6/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | GMNN | O75496 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9170314 | 0.72 | ADORA1 (0.47) | ADORA1ADORA2BADORA2AMEN1GMNN | |
| SCHEMBL8578047 | 0.72 | ADORA1 (0.47) | ADORA1ADORA2BADORA2AMEN1GMNN | |
| SCHEMBL8355410 | 0.72 | KMT2A (0.60) | ADORA1ADORA2BADORA2AMEN1LMNA | |
| SCHEMBL8358874 | 0.71 | KMT2A (0.59) | ADORA1ADORA2BADORA2AMEN1LMNA | |
| SCHEMBL1869547 | 0.69 | ADORA2B (0.46) | ADORA1ADORA2BADORA2AMEN1GMNN | |
| 1,3-Dipropyl-8-Cyclopentylxanthine [Dpcpx] SCHEMBL12648692 | 0.68 | ADORA1 (0.67) | ADORA1ADORA2BADORA2AMEN1GMNN | |
| SCHEMBL7617171 | 0.68 | CYP1A2 (0.43) | ADORA2AMEN1LMNACYP1A2TSHR | |
| SCHEMBL9173396 | 0.67 | ADORA1 (0.56) | ADORA1ADORA2BADORA2AMEN1GMNN | |
| SCHEMBL7618343 | 0.67 | PNP (0.56) | ADORA2AMEN1LMNAKMT2A | |
| SCHEMBL7621514 | 0.67 | MEN1 (0.49) | ADORA1MEN1LMNATSHRKMT2A |
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 |