Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNT1 | O60563 | 3/20 | 0.37 |
| ▸ | CDK9 | P50750 | 3/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.34 |
| ▸ | AKT2 | P31751 | 1/20 | 0.34 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CD38 | P28907 | 1/20 | 0.33 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17757978 | 0.97 | HRH4 (0.37) | CCNT1CDK9HRH4THRBSMN1; SMN2 | |
| SCHEMBL21982523 | 0.88 | HTT (0.40) | CCNT1CDK9HRH4GAAADORA2A | |
| SCHEMBL17757969 | 0.86 | CCNT1 (0.37) | CCNT1CDK9HRH4 | |
| SCHEMBL21982511 | 0.85 | HRH4 (0.42) | CCNT1CDK9HRH4 | |
| SCHEMBL17757971 | 0.82 | CCNT1 (0.35) | CCNT1CDK9HRH4 | |
| SCHEMBL17757270 | 0.82 | CCNT1 (0.37) | CCNT1CDK9HRH4THRBGAA | |
| SCHEMBL17758135 | 0.82 | HRH4 (0.38) | CCNT1CDK9HRH4THRBGAA | |
| SCHEMBL17758127 | 0.82 | HRH4 (0.38) | CCNT1CDK9HRH4THRBGAA | |
| SCHEMBL17757746 | 0.79 | HRH4 (0.42) | CCNT1CDK9HRH4SMN1; SMN2 | |
| SCHEMBL17757007 | 0.78 | CCNT1 (0.41) | CCNT1CDK9HRH4SMN1; SMN2 |
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 |