Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 16/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 16/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | LTC4S | Q16873 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2133994 | 0.77 | HCRTR1 (0.53) | HCRTR1HCRTR2KCNH2LTC4S | |
| SCHEMBL2135427 | 0.73 | HCRTR1 (0.65) | HCRTR1HCRTR2KCNH2LTC4S | |
| SCHEMBL2026638 | 0.73 | HCRTR2 (0.63) | HCRTR1HCRTR2 | |
| SCHEMBL2023628 | 0.65 | HTR6 (0.62) | HCRTR1HCRTR2 | |
| SCHEMBL2022006 | 0.61 | TPH1 (0.34) | HCRTR1HCRTR2 | |
| SCHEMBL5561359 | 0.60 | HTR1A (0.48) | — | |
| SCHEMBL6111104 | 0.59 | L3MBTL1 (0.51) | — | |
| SCHEMBL6249596 | 0.59 | L3MBTL1 (0.54) | — | |
| SCHEMBL2023861 | 0.58 | KDM4E (0.39) | HCRTR1HCRTR2 | |
| SCHEMBL13543074 | 0.58 | KMT2A (0.48) | CYP2C9CYP2C19 |
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-2012055888-A1 | DIAZA-SPIRO[5.5]UNDECANES USEFUL AS OREXIN RECEPTOR ANTAGONISTS | NOVARTIS AG (CH) | 2012-05-03 | — | — | WO | disclosed |