Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 3/20 | 0.60 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | THPO | P40225 | 1/20 | 0.57 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL4650748 | 0.90 | ADORA2B (0.74) | ADORA2BADORA1KDM4EALDH1A1CYP1A2 | |
| SCHEMBL10614219 | 0.84 | ADORA2B (0.52) | ADORA2BADORA1ADORA2A | |
| SCHEMBL10614242 | 0.83 | ADORA2B (0.53) | ADORA2BADORA2A | |
| SCHEMBL10616203 | 0.80 | ADORA2B (0.51) | ADORA2BADORA2A | |
| SCHEMBL10614807 | 0.80 | ADORA2B (0.57) | ADORA2BKDM4EALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL10616213 | 0.80 | PDE5A (0.60) | — | |
| SCHEMBL10617168 | 0.79 | ADORA2B (0.49) | ADORA2BADORA2A | |
| SCHEMBL10614407 | 0.78 | ADORA2B (0.71) | ADORA2BADORA1KDM4EALDH1A1CYP1A2 | |
| SCHEMBL28336838 | 0.76 | ADORA2B (0.53) | ADORA2BADORA1KDM4EALDH1A1CYP1A2 | |
| SCHEMBL10614202 | 0.74 | ADORA2B (0.70) | ADORA2BADORA1KDM4EALDH1A1CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4769377-A | Adenosine receptor antagonists | THE JOHNS HOPKINS UNIVERSITY (US) | 1988-09-06 | — | — | US | disclosed |
| US-4593095-A | ADENOSINE RECEPTOR ANTAGONISTS | THE JOHNS HOPKINS UNIVERSITY (US) | 1986-06-03 | — | — | US | disclosed |