Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.39 |
| ▸ | TPH1 | P17752 | 1/20 | 0.38 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | CSF1R | P07333 | 1/20 | 0.36 |
| ▸ | VNN1 | O95497 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | JAK3 | P52333 | 1/20 | 0.34 |
| ▸ | CHUK | O15111 | 1/20 | 0.34 |
| ▸ | CCNK | O75909 | 1/20 | 0.34 |
| ▸ | CDK9 | P50750 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8053409 | 0.81 | APP (0.51) | PTGS2HRH4TPH1APPKCNH2 | |
| SCHEMBL29197980 | 0.79 | KCNH3 (0.54) | KCNH3ALDH1A1PTGS1PTGS2RIPK2 | |
| SCHEMBL8039831 | 0.78 | APP (0.51) | KCNH3PTGS2HRH4TPH1APP | |
| SCHEMBL23175130 | 0.77 | HRH4 (0.54) | HRH4KCNH2HRH3 | |
| SCHEMBL30784995 | 0.72 | MAPK1 (0.53) | PTGS2HRH4KCNH2 | |
| SCHEMBL15668792 | 0.72 | ALDH1A1 (0.37) | KCNH3ALDH1A1HRH4 | |
| SCHEMBL29197978 | 0.72 | HRH4 (0.42) | KCNH3ALDH1A1HRH4DHFRDCPS | |
| SCHEMBL9912549 | 0.70 | KCNH3 (0.49) | KCNH3ALDH1A1PTGS1PTGS2RIPK2 | |
| SCHEMBL16094915 | 0.70 | NPY5R (0.40) | KCNH3ALDH1A1HRH4TPH1APP | |
| SCHEMBL31229795 | 0.69 | KCNH3 (0.45) | KCNH3ALDH1A1PTGS1PTGS2RIPK2 |
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-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 |
| CN-117417328-A | Triazine compound for reversing anticoagulant activity of low-molecular heparin, and preparation method and application thereof | 中国药科大学 | 2024-01-19 | — | — | CN | disclosed |