Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | STAT6 | P42226 | 1/20 | 0.37 |
| ▸ | CD38 | P28907 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | JAK1 | P23458 | 1/20 | 0.36 |
| ▸ | JAK3 | P52333 | 1/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.36 |
| ▸ | CDK9 | P50750 | 2/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.35 |
| ▸ | CDK2 | P24941 | 2/20 | 0.35 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | VNN1 | O95497 | 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 | |
|---|---|---|---|---|
| SCHEMBL17758135 | 0.88 | HRH4 (0.38) | HRH4STAT6CD38JAK2JAK1 | |
| SCHEMBL17758116 | 0.87 | HRH4 (0.39) | HRH4CCNT1CDK9FLT3GAA | |
| SCHEMBL17757253 | 0.86 | HRH4 (0.38) | HRH4CCNT1CDK9FLT3GAA | |
| SCHEMBL21982523 | 0.83 | HTT (0.40) | HRH4RPS6KB1CCNT1CDK9ADORA2A | |
| SCHEMBL17757978 | 0.82 | HRH4 (0.37) | HRH4CD38RPS6KB1AKT1CCNT1 | |
| SCHEMBL17757976 | 0.82 | CCNT1 (0.37) | HRH4CD38RPS6KB1AKT1CCNT1 | |
| SCHEMBL17757254 | 0.77 | HDAC3 (0.40) | STAT6CD38JAK2JAK1JAK3 | |
| SCHEMBL17757746 | 0.75 | HRH4 (0.42) | HRH4CCNT1CDK9MEN1TSHR | |
| SCHEMBL17758132 | 0.75 | HRH4 (0.39) | HRH4CCNT1CDK9FLT3GAA | |
| SCHEMBL21982511 | 0.74 | HRH4 (0.42) | HRH4CCNT1CDK9FLT3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016075137-A1 | SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH | Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) | 2016-05-19 | — | — | WO | disclosed |