Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | GABRP | O00591 | 1/20 | 0.38 |
| ▸ | GABRD | O14764 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.38 |
| ▸ | GABRE | P78334 | 1/20 | 0.38 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.38 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.38 |
| ▸ | GABRG3 | Q99928 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22335662 | 0.85 | CYP4A11 (0.47) | MAPTMAPK1PTGER4GABRPGABRD | |
| SCHEMBL29101038 | 0.84 | MAPT (0.40) | MAPTMAPK1PTGER4GABRPGABRD | |
| SCHEMBL29994782 | 0.84 | MAPT (0.40) | MAPTMAPK1PTGER4GABRPGABRD | |
| SCHEMBL23362438 | 0.84 | MAPT (0.46) | MAPTMAPK1PTGER4SLC6A4SLC6A3 | |
| SCHEMBL17440418 | 0.82 | MAPT (0.38) | MAPTMAPK1PTGER4GABRPGABRD | |
| SCHEMBL14982165 | 0.79 | MAPT (0.45) | MAPTMAPK1PTGER4CYP1A2GAA | |
| SCHEMBL29826096 | 0.79 | MAPT (0.45) | MAPTMAPK1PTGER4CYP1A2GAA | |
| SCHEMBL31306938 | 0.79 | MAPT (0.45) | MAPTMAPK1PTGER4CYP1A2GAA | |
| SCHEMBL16551995 | 0.77 | KDM4A (0.41) | GAAADORA2AKDM4EL3MBTL1 | |
| SCHEMBL2593348 | 0.77 | PTPN1 (0.50) | MAPTMAPK1PTGER4CYP1A2GAA |
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-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 |