Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.57 |
| ▸ | CA2 | P00918 | 2/20 | 0.57 |
| ▸ | CA9 | Q16790 | 2/20 | 0.57 |
| ▸ | KCNH3 | Q9ULD8 | 2/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | GPR68 | Q15743 | 5/20 | 0.49 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3301514 | 0.82 | NPSR1 (0.74) | CA1CA2CA9KCNH3NPSR1 | |
| Hydrochloric Acid SCHEMBL9247173 | 0.80 | NPSR1 (0.72) | CA1CA2CA9KCNH3NPSR1 | |
| SCHEMBL2456028 | 0.78 | CA1 (0.60) | CA1CA2CA9NPSR1GPR68 | |
| SCHEMBL14869710 | 0.78 | CA1 (0.60) | CA1CA2CA9NPSR1ADORA2A | |
| SCHEMBL6838173 | 0.78 | CA9 (0.60) | CA1CA2CA9NPSR1GPR68 | |
| SCHEMBL29223873 | 0.78 | CA1 (0.60) | CA1CA2CA9KCNH3NPSR1 | |
| SCHEMBL11757124 | 0.78 | MEN1 (0.62) | NPSR1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL30784987 | 0.78 | MEN1 (0.62) | NPSR1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL30784980 | 0.78 | MEN1 (0.62) | NPSR1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL6727019 | 0.78 | NPSR1 (0.74) | CA1CA2CA9KCNH3NPSR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117624137-A | Triazine skeleton small molecule heparin reversal agent and preparation method and application thereof | 中国药科大学 | 2024-03-01 | — | — | CN | disclosed |