Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.64 |
| ▸ | GPR68 | Q15743 | 5/20 | 0.59 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | BCHE | P06276 | 1/20 | 0.56 |
| ▸ | ACHE | P22303 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.54 |
| ▸ | HTR2B | P41595 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.53 |
| ▸ | APP | P05067 | 2/20 | 0.53 |
| ▸ | HTR1A | P08908 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL14869402 | 1.00 | NPSR1 (0.64) | NPSR1GPR68GAABCHEACHE | |
| SCHEMBL14869398 | 0.91 | BCHE (0.65) | NPSR1GAABCHEACHECA1 | |
| SCHEMBL6727019 | 0.91 | NPSR1 (0.74) | NPSR1GPR68GAACA1CA2 | |
| SCHEMBL3301514 | 0.87 | NPSR1 (0.74) | NPSR1GPR68GAACA1CA2 | |
| Hydrochloric Acid SCHEMBL9247173 | 0.85 | NPSR1 (0.72) | NPSR1GPR68GAACA1CA2 | |
| SCHEMBL14869438 | 0.85 | HTR7 (0.60) | NPSR1BCHEACHECA1CA2 | |
| SCHEMBL29609013 | 0.85 | HTR7 (0.60) | NPSR1BCHEACHECA1CA2 | |
| SCHEMBL14869431 | 0.84 | GAA (0.73) | NPSR1GAABCHEACHECA1 | |
| SCHEMBL14869405 | 0.83 | HTR7 (0.68) | BCHEACHECA1CA2CA9 | |
| SCHEMBL28736402 | 0.83 | LMNA (0.60) | GAABCHEACHECA1CA2 |
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-108191774-B | Heterocyclic compound, preparation method and application thereof | 中国药科大学 | 2022-05-24 | — | — | CN | claimed |
| CN-108191774-B | Heterocyclic compound, preparation method and application thereof | 中国药科大学 | 2022-05-24 | — | — | CN | disclosed |