Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 12/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 8/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | THPO | P40225 | 1/20 | 0.51 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 9/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7668670 | 0.93 | ADORA2B (0.51) | ADORA2BADORA1ALDH1A1TSHRKDM4E | |
| SCHEMBL8559651 | 0.91 | ADORA2B (0.61) | ADORA2BADORA1ALDH1A1TSHRKDM4E | |
| SCHEMBL8561695 | 0.89 | ADORA2B (0.54) | ADORA2BADORA1ALDH1A1TSHRKDM4E | |
| SCHEMBL7670431 | 0.82 | ADORA2B (0.54) | ADORA2BADORA1ALDH1A1TSHRKDM4E | |
| SCHEMBL8562832 | 0.78 | ADORA2B (0.43) | ADORA2BADORA1ALDH1A1TSHRKDM4E | |
| SCHEMBL7659412 | 0.75 | ADORA2B (0.45) | ADORA2BADORA1ALDH1A1TSHRKDM4E | |
| SCHEMBL7671642 | 0.74 | ADORA2A (0.42) | ADORA2BADORA1ADORA2AADORA3 | |
| SCHEMBL7665201 | 0.71 | ADORA2A (0.45) | ADORA2BADORA2AKMT2AADORA3 | |
| SCHEMBL7662113 | 0.70 | ADORA1 (0.51) | ADORA2BADORA1TSHRCYP1A2PMP22 | |
| SCHEMBL1321894 | 0.69 | ADORA2B (1.00) | ADORA2BADORA1ALDH1A1TSHRKDM4E |
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 |