Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 17/20 | 0.79 |
| ▸ | ADORA3 | P0DMS8 | 8/20 | 0.79 |
| ▸ | ADORA2A | P29274 | 9/20 | 0.54 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | THPO | P40225 | 1/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TRPM2 | O94759 | 1/20 | 0.44 |
| ▸ | LTB4R | Q15722 | 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 | |
|---|---|---|---|---|
| SCHEMBL7228400 | 1.00 | ADORA2B (0.79) | ADORA2BADORA3ADORA2AADORA1KDM4E | |
| SCHEMBL7220057 | 0.88 | ADORA2B (1.00) | ADORA2BADORA3ADORA2AADORA1KDM4E | |
| SCHEMBL7220060 | 0.88 | ADORA2B (1.00) | ADORA2BADORA3ADORA2AADORA1KDM4E | |
| SCHEMBL7222961 | 0.84 | ADORA2B (1.00) | ADORA2BADORA3ADORA2AADORA1KDM4E | |
| SCHEMBL7222964 | 0.84 | ADORA2B (1.00) | ADORA2BADORA3ADORA2AADORA1KDM4E | |
| SCHEMBL7229028 | 0.83 | ADORA2B (0.74) | ADORA2BADORA3ADORA2AADORA1KDM4E | |
| SCHEMBL7229037 | 0.83 | ADORA2B (0.74) | ADORA2BADORA3ADORA2AADORA1KDM4E | |
| SCHEMBL7221534 | 0.82 | ADORA2B (0.79) | ADORA2BADORA3ADORA2AADORA1CYP2C9 | |
| SCHEMBL28795849 | 0.78 | ADORA2B (0.69) | ADORA2BADORA3ADORA2AADORA1 | |
| SCHEMBL7228457 | 0.71 | ADORA2B (1.00) | ADORA2BADORA3ADORA2AADORA1 |
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 |