Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR2 | O43614 | 8/20 | 0.49 |
| ▸ | HCRTR1 | O43613 | 5/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 3/20 | 0.47 |
| ▸ | DRD4 | P21917 | 3/20 | 0.47 |
| ▸ | DRD3 | P35462 | 3/20 | 0.47 |
| ▸ | HTR1A | P08908 | 2/20 | 0.47 |
| ▸ | TSPO | P30536 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | JAK2 | O60674 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2026825 | 0.82 | HCRTR2 (0.69) | HCRTR2HCRTR1HDAC3HDAC1HDAC2 | |
| SCHEMBL2136758 | 0.81 | HCRTR2 (0.75) | HCRTR2HCRTR1HTR1ATSPO | |
| SCHEMBL12501032 | 0.79 | HCRTR2 (0.53) | HCRTR2HCRTR1HDAC3HDAC1HDAC2 | |
| SCHEMBL2027574 | 0.77 | HCRTR1 (0.67) | HCRTR2HCRTR1HDAC3HDAC1HDAC2 | |
| SCHEMBL6358114 | 0.76 | HTR1A (0.72) | HTR1A | |
| SCHEMBL2732669 | 0.76 | HCRTR2 (0.56) | HCRTR2HCRTR1HDAC3HDAC1HDAC2 | |
| SCHEMBL2026886 | 0.75 | HCRTR2 (0.60) | HCRTR2HCRTR1HDAC3HDAC1HDAC2 | |
| SCHEMBL12501037 | 0.75 | HDAC3 (0.45) | HCRTR2HCRTR1HDAC3HDAC1HDAC2 | |
| SCHEMBL2730182 | 0.75 | HDAC3 (0.59) | HCRTR2HCRTR1HDAC3HDAC1HDAC2 | |
| SCHEMBL9948909 | 0.69 | HCRTR2 (0.70) | HCRTR2HCRTR1 |
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-2632924-A1 | DIAZA-SPIRO[5.5]UNDECANES USEFUL AS OREXIN RECEPTOR ANTAGONISTS | Novartis AG (CH) | 2013-09-04 | — | — | EP | claimed |
| WO-2012055888-A1 | DIAZA-SPIRO[5.5]UNDECANES USEFUL AS OREXIN RECEPTOR ANTAGONISTS | NOVARTIS AG (CH) | 2012-05-03 | — | — | WO | claimed |