Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 12/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 8/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | THPO | P40225 | 1/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 9/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | METAP2 | P50579 | 1/20 | 0.39 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7670431 | 0.85 | ADORA2B (0.54) | ADORA2BADORA1KDM4EALDH1A1CYP1A2 | |
| SCHEMBL7668670 | 0.83 | ADORA2B (0.51) | ADORA2BADORA1KDM4EALDH1A1CYP1A2 | |
| SCHEMBL8559651 | 0.79 | ADORA2B (0.61) | ADORA2BADORA1KDM4EALDH1A1CYP1A2 | |
| SCHEMBL8561695 | 0.77 | ADORA2B (0.54) | ADORA2BADORA1KDM4EALDH1A1CYP1A2 | |
| SCHEMBL8556980 | 0.75 | ADORA2B (0.51) | ADORA2BADORA1KDM4EALDH1A1CYP1A2 | |
| SCHEMBL7001583 | 0.74 | ADORA2A (0.49) | ADORA2BKDM4EALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL6999142 | 0.74 | SIRT1 (0.46) | ADORA2BADORA1KDM4EALDH1A1CYP1A2 | |
| SCHEMBL7666682 | 0.74 | ADORA3 (0.50) | ADORA2BADORA1CYP1A2TSHRPMP22 | |
| SCHEMBL7663888 | 0.74 | ADORA2B (0.40) | ADORA2BADORA1KDM4EALDH1A1CYP1A2 | |
| SCHEMBL7671625 | 0.73 | ADORA2B (0.46) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6492377-B1 | Imidazotriazolopyrimidines with adenosine-antagonistic activity | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2002-12-10 | — | — | US | disclosed |