Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.36 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.32 |
| ▸ | KLF10 | Q13118 | 1/20 | 0.32 |
| ▸ | CD38 | P28907 | 1/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 5/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.30 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.30 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.30 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | NR4A2 | P43354 | 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 | |
|---|---|---|---|---|
| SCHEMBL9627023 | 0.86 | CA2 (0.45) | PDCD1CD274GABRA1GABRB2CA2 | |
| SCHEMBL1607338 | 0.80 | AKR1B1 (0.42) | PDK2CD38P2RX7 | |
| SCHEMBL17414713 | 0.78 | NR4A2 (0.33) | PDCD1CD274GABRA1GABRB2PDK2 | |
| SCHEMBL16961227 | 0.76 | APOBEC3G (0.44) | PDCD1CD274GABRA1GABRB2PDK2 | |
| SCHEMBL29994919 | 0.75 | KAT2B (0.31) | — | |
| SCHEMBL29100950 | 0.75 | KAT2B (0.31) | — | |
| SCHEMBL29101037 | 0.74 | BACE1 (0.39) | P2RX7 | |
| SCHEMBL29995380 | 0.74 | BACE1 (0.39) | P2RX7 | |
| SCHEMBL1064239 | 0.74 | ALDH1A1 (0.46) | GABRA1GABRB2CA2HSD11B1 | |
| SCHEMBL23412139 | 0.72 | CA2 (0.37) | GABRA1GABRB2CA2PDK2HSD11B1 |
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 |