Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | TRPV3 | Q8NET8 | 2/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.43 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.42 |
| ▸ | SORD | Q00796 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.40 |
| ▸ | HTR3B | O95264 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.40 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.40 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.39 |
| ▸ | PTGER4 | P35408 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29101002 | 0.84 | HRH3 (0.41) | ADORA2AHRH3TRPV3HSD11B1PDE10A | |
| SCHEMBL29101044 | 0.81 | ADORA2A (0.43) | ADORA2ATRPV3HSD11B1PTPN11PDE10A | |
| SCHEMBL15537503 | 0.80 | TRPV3 (0.57) | HRH3TRPV3PDE10ASORD | |
| SCHEMBL22304528 | 0.79 | CYP11B1 (0.43) | ADORA2AHRH3TRPV3PDE10ASORD | |
| SCHEMBL15537495 | 0.79 | TRPV3 (0.58) | HRH3TRPV3HSD11B1PDE10A | |
| SCHEMBL29995034 | 0.79 | ADORA2A (0.42) | ADORA2ATRPV3HSD11B1PTPN11PDE10A | |
| SCHEMBL20436562 | 0.77 | HRH3 (0.54) | HRH3TRPV3PDE10AALDH1A1SMN1; SMN2 | |
| SCHEMBL25189276 | 0.76 | HTR3E (0.58) | HRH3TRPV3PDE10AALDH1A1HSD17B10 | |
| SCHEMBL6475308 | 0.76 | GAA (0.51) | HRH3TRPV3PDE10A | |
| SCHEMBL20745663 | 0.76 | SORD (0.41) | PTPN11SORD |
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 |