Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.42 |
| ▸ | GLS | O94925 | 1/20 | 0.41 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | PDE1A | P54750 | 1/20 | 0.32 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.32 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | HSF1 | Q00613 | 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 | |
|---|---|---|---|---|
| SCHEMBL23529929 | 1.00 | ADORA2A (0.42) | ADORA2AADORA2BGLSSLC9A1LMNA | |
| SCHEMBL23529955 | 0.74 | SLC9A1 (0.34) | SLC9A1LMNASMN1; SMN2HTTALOX15 | |
| SCHEMBL6090368 | 0.72 | GLS (0.66) | ADORA2AADORA2BGLSSLC9A1LMNA | |
| SCHEMBL23529949 | 0.72 | HTR3A (0.34) | — | |
| SCHEMBL5476722 | 0.70 | GLS (0.31) | GLSSMN1; SMN2 | |
| SCHEMBL9882815 | 0.67 | ALDH1A1 (0.53) | ADORA2AADORA2BGLSLMNASMN1; SMN2 | |
| SCHEMBL18069132 | 0.66 | ADORA2A (0.47) | ADORA2AADORA2BGLSSLC9A1LMNA | |
| SCHEMBL27152148 | 0.65 | GAA (0.39) | GAA | |
| SCHEMBL23529924 | 0.65 | PDE1A (0.50) | ADORA2AADORA2BGLSSLC9A1LMNA | |
| SCHEMBL29549938 | 0.65 | PDE1A (0.50) | ADORA2AADORA2BGLSSLC9A1LMNA |
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-114302886-B | Triazolopyridazine derivative, preparation method, pharmaceutical composition and application thereof | 上海赛默罗生物科技有限公司 | 2024-03-22 | — | — | CN | disclosed |
| CN-114302886-A | Triazolopyridazine derivative, preparation method, pharmaceutical composition and application thereof | 上海赛默罗生物科技有限公司 | 2022-04-08 | — | — | CN | disclosed |