Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 6/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.43 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.43 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.43 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | PDE2A | O00408 | 1/20 | 0.40 |
| ▸ | PDE1A | P54750 | 1/20 | 0.40 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.40 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8559651 | 0.84 | ADORA2B (0.61) | ADORA2BADORA2AADORA1KDM4EALDH1A1 | |
| SCHEMBL7663888 | 0.83 | ADORA2B (0.40) | ADORA2BADORA2ASIRT1SIRT3SIRT5 | |
| SCHEMBL7002349 | 0.81 | ADORA2B (0.38) | ADORA2BADORA2ASIRT1SIRT3SIRT5 | |
| SCHEMBL8561695 | 0.81 | ADORA2B (0.54) | ADORA2BADORA2AADORA1KDM4EALDH1A1 | |
| SCHEMBL6996703 | 0.80 | SIRT1 (0.46) | ADORA2BADORA2ASIRT1SIRT3SIRT5 | |
| SCHEMBL8556980 | 0.78 | ADORA2B (0.51) | ADORA2BADORA2AADORA1KDM4EALDH1A1 | |
| SCHEMBL7661316 | 0.75 | ADORA2A (0.41) | ADORA2BADORA2ASIRT1SIRT3SIRT5 | |
| SCHEMBL8558975 | 0.73 | ADORA3 (0.51) | ADORA2BADORA2AADORA1CYP1A2TSHR | |
| SCHEMBL7670431 | 0.72 | ADORA2B (0.54) | ADORA2BADORA2AADORA1KDM4EALDH1A1 | |
| SCHEMBL8560002 | 0.72 | ADORA1 (0.58) | ADORA2BADORA2AADORA1KDM4EALDH1A1 |
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 |