Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 4/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29100934 | 0.88 | KDM4E (0.33) | ALDH1A1KDM4EPDE10A | |
| SCHEMBL22304481 | 0.84 | PDE10A (0.32) | ALDH1A1KDM4EHPGDHSD17B10CYP1A2 | |
| SCHEMBL22304474 | 0.81 | KDM4E (0.33) | ALDH1A1KDM4E | |
| SCHEMBL30080570 | 0.81 | KDM4E (0.33) | ALDH1A1KDM4E | |
| SCHEMBL29100998 | 0.80 | KDM4E (0.35) | ALDH1A1KDM4EPDE10A | |
| SCHEMBL29100985 | 0.78 | KDM4E (0.34) | ALDH1A1KDM4EPDE10A | |
| SCHEMBL30080598 | 0.77 | CXCR4 (0.32) | PDE10A | |
| SCHEMBL22304527 | 0.75 | CYP11B1 (0.38) | ALDH1A1KDM4EHPGDHSD17B10TSHR | |
| SCHEMBL30080476 | 0.75 | CYP11B1 (0.38) | ALDH1A1KDM4EHPGDHSD17B10TSHR | |
| SCHEMBL29101044 | 0.74 | ADORA2A (0.43) | ALDH1A1KDM4EPDE10A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116981669-B | Pyrimidine or pyrido heterocyclic adenosine receptor inhibitor, preparation method and application thereof | 上海齐鲁制药研究中心有限公司 | 2024-08-30 | — | — | CN | disclosed |
| CN-116981669-A | Pyrimidine or pyrido heterocyclic adenosine receptor inhibitor, preparation method and application thereof | 上海齐鲁制药研究中心有限公司 | 2023-10-31 | — | — | CN | disclosed |
| WO-2022166796-A1 | PYRIMIDINE OR PYRIDINE AND HETEROCYCLIC ADENOSINE RECEPTOR INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海齐鲁制药研究中心有限公司 | 2022-08-11 | — | — | WO | disclosed |