Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 19/20 | 1.00 |
| ▸ | ADORA2A | P29274 | 17/20 | 1.00 |
| ▸ | ADORA1 | P30542 | 13/20 | 1.00 |
| ▸ | ADORA3 | P0DMS8 | 12/20 | 1.00 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.82 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.82 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.82 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.81 |
| ▸ | LMNA | P02545 | 1/20 | 0.81 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.81 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.81 |
| ▸ | THRB | P10828 | 1/20 | 0.81 |
| ▸ | BLM | P54132 | 1/20 | 0.81 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.81 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.81 |
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 | |
|---|---|---|---|---|
| SCHEMBL7223187 | 0.91 | ADORA2B (1.00) | ADORA2BADORA2AADORA1ADORA3CYP2D6 | |
| SCHEMBL7228603 | 0.91 | ADORA2B (1.00) | ADORA2BADORA2AADORA1ADORA3CYP2D6 | |
| SCHEMBL7222372 | 0.91 | ADORA2B (1.00) | ADORA2BADORA2AADORA1ADORA3CYP2D6 | |
| SCHEMBL7220779 | 0.91 | ADORA2B (1.00) | ADORA2BADORA2AADORA1ADORA3CYP2D6 | |
| SCHEMBL7220653 | 0.91 | ADORA2B (1.00) | ADORA2BADORA2AADORA1ADORA3CYP2D6 | |
| SCHEMBL1223972 | 0.90 | ADORA2B (1.00) | ADORA2BADORA2AADORA1ADORA3CYP2D6 | |
| SCHEMBL7228294 | 0.90 | ADORA2B (1.00) | ADORA2BADORA2AADORA1ADORA3CYP2D6 | |
| Water SCHEMBL15690379 | 0.90 | ADORA2B (1.00) | ADORA2BADORA2AADORA1ADORA3CYP2D6 | |
| SCHEMBL7221366 | 0.90 | ADORA2B (1.00) | ADORA2BADORA2AADORA1ADORA3CYP2D6 | |
| SCHEMBL7219818 | 0.90 | ADORA2B (1.00) | ADORA2BADORA2AADORA1ADORA3CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-6545002-B1 | Treating asthma, diarrhea, insulin resistance, diabetes, ischemia/reprefusion injuries, diabetic retinopathy or hyperbaric oxygen-induced retinopathy | UNIVERSITY OF VIRGINIA PATENT FOUNDATION | 2003-04-08 | — | — | US | disclosed |