Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 6/20 | 0.49 |
| ▸ | HCRTR2 | O43614 | 6/20 | 0.49 |
| ▸ | MET | P08581 | 1/20 | 0.40 |
| ▸ | OGA | O60502 | 1/20 | 0.40 |
| ▸ | KIF18A | Q8NI77 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2135086 | 0.81 | HCRTR1 (0.74) | HCRTR1HCRTR2 | |
| SCHEMBL2136248 | 0.74 | HCRTR1 (0.66) | HCRTR1HCRTR2 | |
| SCHEMBL2134181 | 0.74 | HCRTR2 (0.71) | HCRTR1HCRTR2 | |
| SCHEMBL2728821 | 0.68 | HCRTR1 (0.45) | HCRTR1HCRTR2CYP2D6CYP3A4TSHR | |
| SCHEMBL2131812 | 0.67 | HCRTR2 (0.71) | HCRTR1HCRTR2 | |
| SCHEMBL2729908 | 0.67 | HCRTR1 (0.65) | HCRTR1HCRTR2TSHRALDH1A1 | |
| SCHEMBL2133315 | 0.65 | HCRTR2 (0.73) | HCRTR1HCRTR2 | |
| SCHEMBL2132512 | 0.64 | HCRTR2 (0.68) | HCRTR1HCRTR2 | |
| SCHEMBL2022445 | 0.64 | MET (0.50) | HCRTR1HCRTR2METKIF18ATSHR | |
| SCHEMBL2026858 | 0.64 | MET (0.50) | HCRTR1HCRTR2METS1PR1 |
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 |