Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNT1 | O60563 | 5/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | HTR6 | P50406 | 2/20 | 0.33 |
| ▸ | ACAT2 | Q9BWD1 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | FYN | P06241 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | RAF1 | P04049 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17758134 | 0.91 | CCNT1 (0.39) | CCNT1MAOBHTR6ACAT2TMIGD3 | |
| SCHEMBL17758123 | 0.88 | ACAT2 (0.38) | CCNT1MAOBHTR6ACAT2TRPV1 | |
| SCHEMBL21982521 | 0.84 | CCNT1 (0.37) | CCNT1MAOBHTR6ACAT2TMIGD3 | |
| SCHEMBL17757967 | 0.81 | ACAT2 (0.37) | CCNT1MAOBHTR6ACAT2RXFP1 | |
| SCHEMBL17757954 | 0.81 | ACAT2 (0.37) | CCNT1MAOBHTR6ACAT2RXFP1 | |
| SCHEMBL17758121 | 0.78 | ACAT2 (0.40) | CCNT1MAOBHTR6ACAT2TMIGD3 | |
| SCHEMBL21982507 | 0.78 | CCNT1 (0.37) | CCNT1TMIGD3HTR2CHTR2BHDAC3 | |
| SCHEMBL17758132 | 0.76 | HRH4 (0.39) | CCNT1MAOBHTR6TMIGD3HTR2C | |
| SCHEMBL17757306 | 0.76 | ACAT2 (0.41) | CCNT1MAOBHTR6ACAT2HTR2C | |
| SCHEMBL17757779 | 0.76 | ACAT2 (0.37) | CCNT1MAOBHTR6ACAT2HDAC3 |
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 |