Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TMIGD3 | P0DMS9 | 4/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | CASP1 | P29466 | 3/20 | 0.49 |
| ▸ | CASP7 | P55210 | 3/20 | 0.49 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8674551 | 0.83 | CDK1 (0.59) | TMIGD3ADORA2AADORA1ALDH1A1CYP1A2 | |
| SCHEMBL5335413 | 0.80 | TDP1 (0.67) | CYP1A2CYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL8826403 | 0.78 | CYP1A2 (0.41) | TMIGD3ADORA2AADORA1ALDH1A1CYP1A2 | |
| SCHEMBL18520823 | 0.78 | CDK1 (0.53) | TMIGD3ADORA2AADORA1ALDH1A1CYP1A2 | |
| SCHEMBL6670712 | 0.76 | TMIGD3 (0.53) | TMIGD3ADORA2AADORA1ALDH1A1CYP1A2 | |
| SCHEMBL5162419 | 0.76 | ADORA2A (0.82) | TMIGD3ADORA2AADORA1ADORA2BKDM4E | |
| SCHEMBL22571186 | 0.73 | TMIGD3 (0.81) | TMIGD3ADORA2AADORA1HPGDADORA2B | |
| SCHEMBL20350685 | 0.73 | CDK1 (0.73) | TMIGD3ADORA2AADORA1CYP2C19CYP2D6 | |
| SCHEMBL17450128 | 0.73 | CDK1 (0.60) | TMIGD3ADORA2AADORA1ADORA2BKDM4E | |
| SCHEMBL28233423 | 0.72 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP3A4CYP2C19HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104936959-B | 2,6, 9-trisubstituted purine derivative and preparation method and application thereof | 中国人民解放军军事医学科学院放射与辐射医学研究所 | 2018-09-18 | — | — | CN | disclosed |
| CN-104936959-A | 2,6, 9-trisubstituted purine derivative and preparation method and application thereof | INST RADIATION MED AMMS PLA | 2015-09-23 | — | — | CN | disclosed |