Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | TDP2 | O95551 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 2/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.32 |
| ▸ | KDM5A | P29375 | 1/20 | 0.32 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8563751 | 0.83 | ADORA3 (0.46) | ADORA3ADORA2AADORA2BPDE4APDE4B | |
| SCHEMBL8560750 | 0.70 | PDE4A (0.52) | ADORA3ADORA2AADORA2BPDE4APDE4B | |
| SCHEMBL7659027 | 0.62 | KMT2A (0.50) | TSHRALDH1A1ADORA2BKMT2A | |
| SCHEMBL7666660 | 0.61 | ADORA2B (0.54) | ADORA3ADORA2AADORA2BPDE4APDE4B | |
| SCHEMBL8559651 | 0.61 | ADORA2B (0.61) | ADORA3ADORA2ATSHRALDH1A1ADORA2B | |
| SCHEMBL8562832 | 0.60 | ADORA2B (0.43) | ADORA3ADORA2ATSHRALDH1A1ADORA2B | |
| SCHEMBL22571161 | 0.59 | ADORA2B (0.39) | ADORA3ADORA2AALDH1A1ADORA2BPDE4A | |
| SCHEMBL17186305 | 0.59 | PNP (0.39) | ADORA3ADORA2BPDE4APDE4BPDE4C | |
| SCHEMBL7519640 | 0.59 | MEN1 (0.41) | ADORA2AKMT2A | |
| SCHEMBL7512202 | 0.59 | ALDH1A1 (0.44) | ADORA2AALDH1A1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0880524-A1 | NEW TRIAZOLOPURINES, METHOD OF PREPARING THEM AND THEIR USE AS DRUGS | Boehringer Ingelheim Pharma KG (DE) | 1998-12-02 | — | — | EP | disclosed |
| WO-1998003511-A1 | NEW TRIAZOLOPURINES, METHOD OF PREPARING THEM AND THEIR USE AS DRUGS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1998-01-29 | — | — | WO | disclosed |