Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 7/20 | 0.73 |
| ▸ | CCNE2 | O96020 | 3/20 | 0.55 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.55 |
| ▸ | CDK2 | P24941 | 3/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.53 |
| ▸ | PDE5A | O76074 | 1/20 | 0.51 |
| ▸ | APP | P05067 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | CTSL | P07711 | 2/20 | 0.51 |
| ▸ | NT5E | P21589 | 2/20 | 0.51 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.50 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL24600966 | 0.86 | CDK1 (0.58) | CDK1CTSLADORA3TMIGD3HTR2C | |
| SCHEMBL8010398 | 0.84 | CDK1 (1.00) | CDK1CCNE2CCNE1CDK2CYP2D6 | |
| SCHEMBL20350685 | 0.82 | CDK1 (0.73) | CDK1CCNE2CCNE1CDK2CYP2D6 | |
| SCHEMBL17450116 | 0.82 | CDK1 (0.69) | CDK1CCNE2CCNE1CDK2CYP2D6 | |
| SCHEMBL19968863 | 0.81 | CDK1 (0.72) | CDK1CCNE2CCNE1CDK2CYP2D6 | |
| SCHEMBL1400442 | 0.81 | CDK1 (1.00) | CDK1CCNE1CDK2CYP2D6CYP2C9 | |
| SCHEMBL6817859 | 0.80 | CDK1 (0.74) | CDK1CCNE2CCNE1CDK2YTHDC1 | |
| SCHEMBL5192872 | 0.79 | CDK1 (0.79) | CDK1CCNE2CCNE1CDK2CYP2D6 | |
| SCHEMBL12468622 | 0.79 | CDK1 (0.65) | CDK1CCNE2CCNE1CDK2CYP2D6 | |
| SCHEMBL5196875 | 0.79 | CDK1 (0.83) | CDK1CCNE2CCNE1CDK2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022143740-A1 | ADENOSINE A3 RECEPTOR AGONIST, PREPARATION METHOD THEREFOR, AND USE THEREOF | 浙江春禾医药科技有限公司 | 2022-07-07 | — | — | WO | disclosed |