Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 7/20 | 0.65 |
| ▸ | HCRTR2 | O43614 | 7/20 | 0.65 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | PDE2A | O00408 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | DOCK5 | Q9H7D0 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2133669 | 0.79 | HCRTR2 (1.00) | HCRTR1HCRTR2 | |
| SCHEMBL2728821 | 0.77 | HCRTR1 (0.45) | HCRTR1HCRTR2ALDH1A1TSHR | |
| SCHEMBL5961922 | 0.70 | LMNA (0.69) | LMNAGLAALDH1A1TSHRDRD2 | |
| SCHEMBL12501032 | 0.69 | HCRTR2 (0.53) | HCRTR1HCRTR2LMNADRD2DRD4 | |
| Hydrochloric Acid SCHEMBL32679642 | 0.69 | HDAC1 (0.69) | HCRTR1HCRTR2LMNAGLADRD2 | |
| SCHEMBL2130262 | 0.68 | HCRTR2 (0.80) | HCRTR1HCRTR2 | |
| SCHEMBL2730491 | 0.67 | HCRTR1 (0.49) | HCRTR1HCRTR2ALDH1A1TSHR | |
| SCHEMBL2730182 | 0.66 | HDAC3 (0.59) | HCRTR1HCRTR2LMNATSHRDRD2 | |
| SCHEMBL2732669 | 0.65 | HCRTR2 (0.56) | HCRTR1HCRTR2LMNAPDE2ATSHR | |
| SCHEMBL2162689 | 0.64 | LMNA (1.00) | LMNAGLAALDH1A1TSHRDRD2 |
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 | disclosed |
| WO-2012055888-A1 | DIAZA-SPIRO[5.5]UNDECANES USEFUL AS OREXIN RECEPTOR ANTAGONISTS | NOVARTIS AG (CH) | 2012-05-03 | — | — | WO | disclosed |