Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | TRPV3 | Q8NET8 | 2/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 3/20 | 0.35 |
| ▸ | SORD | Q00796 | 2/20 | 0.34 |
| ▸ | KIF18A | Q8NI77 | 4/20 | 0.34 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.33 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15725264 | 0.83 | PDE10A (0.38) | TRPV3PDE10AGRIN2DGRIN3BCHRM1 | |
| SCHEMBL29101002 | 0.82 | HRH3 (0.41) | HRH3TRPV3PDE10AIRAK4SORD | |
| SCHEMBL17115637 | 0.80 | AOC3 (0.38) | HRH3TRPV3PDE10AKIF18AHTR1A | |
| SCHEMBL22304475 | 0.80 | KIF18A (0.40) | HRH3TRPV3PDE10AIRAK4SORD | |
| SCHEMBL29100999 | 0.78 | HRH3 (0.39) | HRH3TRPV3PDE10AIRAK4SORD | |
| SCHEMBL15537503 | 0.77 | TRPV3 (0.57) | HRH3TRPV3PDE10ASORD | |
| SCHEMBL22304480 | 0.77 | ALDH1A1 (0.38) | HRH3TRPV3PDE10AKIF18A | |
| SCHEMBL15709959 | 0.77 | HRH3 (0.38) | HRH3TRPV3KIF18A | |
| SCHEMBL29100998 | 0.76 | KDM4E (0.35) | TRPV3PDE10A | |
| SCHEMBL15537495 | 0.76 | TRPV3 (0.58) | HRH3TRPV3PDE10A |
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 |