Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 5/20 | 0.34 |
| ▸ | PDE2A | O00408 | 4/20 | 0.34 |
| ▸ | PDE1A | P54750 | 4/20 | 0.34 |
| ▸ | PDE1B | Q01064 | 4/20 | 0.34 |
| ▸ | PDE1C | Q14123 | 4/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CFTR | P13569 | 2/20 | 0.34 |
| ▸ | PDE5A | O76074 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | SCN1A | P35498 | 1/20 | 0.34 |
| ▸ | PDE6C | P51160 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9018625 | 0.79 | ALDH1A1 (0.32) | TSHRPDE4AMAPK1PDE4BPDE4C | |
| SCHEMBL6631440 | 0.78 | LMNA (0.35) | ADORA2AADORA2BTSHRPDE5APDE4A | |
| SCHEMBL9585832 | 0.73 | PDE4A (0.36) | TSHRPDE4AMAPK1PDE4BPDE4C | |
| SCHEMBL10800858 | 0.70 | TSHR (0.33) | TSHRCYP3A4SMN1; SMN2HIF1ALMNA | |
| SCHEMBL10795887 | 0.68 | LMNA (0.35) | TSHRPDE2APDE1APDE1BPDE1C | |
| SCHEMBL11063263 | 0.68 | CYP3A4 (0.32) | TSHRPDE2APDE1APDE1BPDE1C | |
| SCHEMBL11273417 | 0.67 | CYP3A4 (0.32) | TSHRCYP3A4SMN1; SMN2HIF1A | |
| SCHEMBL11074233 | 0.64 | PDE4A (0.45) | TSHRCYP1A2PDE4APDE4BPDE4C | |
| SCHEMBL10801005 | 0.63 | TSHR (0.48) | TSHRCYP3A4PDE5APDE4AMAPK1 | |
| SCHEMBL10800120 | 0.63 | MEN1 (0.49) | ADORA2AADORA2BTSHRCYP1A2PDE4A |
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-4489078-A | Diazaheterocyclopurines used as anti-broncho spasmatics and vasodilators | MEAD JOHNSON & COMPANY (US) | 1984-12-18 | — | — | US | disclosed |