Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR2 | O43614 | 16/20 | 0.56 |
| ▸ | HCRTR1 | O43613 | 14/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | HTR2A | P28223 | 1/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.51 |
| ▸ | HTR1A | P08908 | 1/20 | 0.51 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.51 |
| ▸ | DRD3 | P35462 | 1/20 | 0.51 |
| ▸ | HTR2B | P41595 | 1/20 | 0.51 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL13499116 | 0.91 | HCRTR2 (0.56) | HCRTR2HCRTR1CYP3A4HTR2AKCNH2 | |
| SCHEMBL3487028 | 0.90 | HCRTR2 (0.60) | HCRTR2HCRTR1CYP3A4HTR2AKCNH2 | |
| SCHEMBL13498698 | 0.89 | HCRTR2 (0.69) | HCRTR2HCRTR1CYP3A4HTR2AKCNH2 | |
| SCHEMBL13498691 | 0.82 | HCRTR2 (0.70) | HCRTR2HCRTR1CYP3A4HTR2AKCNH2 | |
| SCHEMBL3486955 | 0.77 | HCRTR2 (0.75) | HCRTR2HCRTR1CYP3A4HTR2AKCNH2 | |
| SCHEMBL3486115 | 0.77 | HCRTR2 (0.61) | HCRTR2HCRTR1CYP3A4HTR2AKCNH2 | |
| SCHEMBL3485359 | 0.75 | HCRTR2 (0.55) | HCRTR2HCRTR1CYP3A4HTR2AKCNH2 | |
| SCHEMBL28398425 | 0.75 | LMNA (0.56) | HCRTR2HCRTR1CYP3A4HTR2AKCNH2 | |
| SCHEMBL30171521 | 0.75 | LMNA (0.56) | HCRTR2HCRTR1CYP3A4HTR2AKCNH2 | |
| SCHEMBL13499156 | 0.74 | HCRTR2 (0.52) | HCRTR2HCRTR1CYP3A4HTR2AKCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8349872-B2 | Tripyridyl carboxamide orexin receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-01-08 | — | — | US | disclosed |