Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 2/20 | 0.67 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.67 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.52 |
| ▸ | JAK3 | P52333 | 4/20 | 0.51 |
| ▸ | AKT2 | P31751 | 6/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | JAK2 | O60674 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2027103 | 0.80 | HCRTR2 (1.00) | HCRTR1HCRTR2 | |
| SCHEMBL2732669 | 0.79 | HCRTR2 (0.56) | HCRTR1HCRTR2HDAC3HDAC1HDAC2 | |
| SCHEMBL2732768 | 0.77 | HCRTR2 (0.49) | HCRTR1HCRTR2HDAC3HDAC1HDAC2 | |
| SCHEMBL2026825 | 0.75 | HCRTR2 (0.69) | HCRTR1HCRTR2HDAC3HDAC1HDAC2 | |
| SCHEMBL2730182 | 0.74 | HDAC3 (0.59) | HCRTR1HCRTR2HDAC3HDAC1HDAC2 | |
| SCHEMBL20470386 | 0.73 | JAK3 (0.69) | JAK3AKT2JAK2 | |
| SCHEMBL3489475 | 0.72 | AKT2 (0.54) | HCRTR1HCRTR2JAK3AKT2 | |
| SCHEMBL2026886 | 0.71 | HCRTR2 (0.60) | HCRTR1HCRTR2HDAC3HDAC1HDAC2 | |
| SCHEMBL1079043 | 0.71 | JAK3 (0.59) | HCRTR1HCRTR2JAK3JAK2 | |
| SCHEMBL322327 | 0.71 | JAK3 (0.63) | JAK3AKT2JAK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2516439-A1 | DIAZA-SPIRO[5.5]UNDECANES AS OREXIN RECEPTOR ANTAGONISTS | Novartis AG (CH) | 2012-10-31 | — | — | EP | disclosed |
| WO-2011076747-A1 | DIAZA-SPIRO[5.5]UNDECANES AS OREXIN RECEPTOR ANTAGONISTS | NOVARTIS AG (CH) | 2011-06-30 | — | — | WO | disclosed |