Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 6/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | DRD4 | P21917 | 5/20 | 0.42 |
| ▸ | DRD3 | P35462 | 5/20 | 0.42 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.37 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.37 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.36 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | JAK1 | P23458 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30484462 | 0.88 | EGLN1 (0.47) | DRD2HTR1AEGLN1KDM4EALDH1A1 | |
| SCHEMBL30484482 | 0.87 | EGLN1 (0.46) | DRD2HTR1AEGLN1KDM4EALDH1A1 | |
| SCHEMBL30484425 | 0.87 | HTR1A (0.39) | DRD2HTR1ACXCR4EGLN1KDM4E | |
| SCHEMBL30484511 | 0.87 | LSS (0.46) | DRD2HTR1ADRD4DRD3CXCR4 | |
| SCHEMBL30484434 | 0.84 | SIGMAR1 (0.41) | DRD2HTR1AKCNH2CXCR4EGLN1 | |
| SCHEMBL10373480 | 0.82 | SSTR5 (0.49) | DRD2HTR1ADRD4DRD3SSTR5 | |
| SCHEMBL10372410 | 0.80 | OPRL1 (0.50) | DRD2HTR1ADRD4DRD3SSTR5 | |
| SCHEMBL30484486 | 0.79 | EGLN1 (0.40) | DRD2HTR1AEGLN1KDM4EALDH1A1 | |
| SCHEMBL30484426 | 0.79 | TMEM97 (0.40) | DRD2HTR1AKCNH2CXCR4EGLN1 | |
| SCHEMBL27425923 | 0.78 | DRD2 (0.51) | DRD2HTR1ADRD4DRD3KCNH2 |
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-116354897-B | Substituted 1,2, 4-triazole, pyridine and pyrimidine derivatives and application thereof in medicines | 华东师范大学 | 2024-10-15 | — | — | CN | disclosed |
| CN-116354897-A | Substituted 1,2, 4-triazole, pyridine and pyrimidine derivatives and application thereof in medicines | 华东师范大学 | 2023-06-30 | — | — | CN | disclosed |