Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR2 | O43614 | 5/20 | 0.41 |
| ▸ | AURKA | O14965 | 2/20 | 0.40 |
| ▸ | EPHB4 | P54760 | 8/20 | 0.39 |
| ▸ | CD63 | P08962 | 1/20 | 0.39 |
| ▸ | SYK | P43405 | 1/20 | 0.39 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.39 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29102774 | 1.00 | HCRTR2 (0.41) | HCRTR2AURKAEPHB4CD63SYK | |
| Hydrochloric Acid SCHEMBL29749900 | 0.99 | HCRTR2 (0.41) | HCRTR2AURKAEPHB4CD63SYK | |
| SCHEMBL27180734 | 0.85 | HCRTR2 (0.55) | HCRTR2AURKAEPHB4CD63SYK | |
| SCHEMBL24529266 | 0.85 | HCRTR2 (0.55) | HCRTR2AURKAEPHB4CD63SYK | |
| SCHEMBL29102887 | 0.85 | OPRK1 (0.31) | HCRTR2AURKA | |
| SCHEMBL24386982 | 0.81 | HCRTR2 (0.44) | HCRTR2AURKAEPHB4CD63SYK | |
| SCHEMBL24529318 | 0.79 | SYK (0.39) | HCRTR2AURKACD63SYK | |
| SCHEMBL27181434 | 0.79 | SYK (0.39) | HCRTR2AURKACD63SYK | |
| SCHEMBL24529309 | 0.78 | HCRTR2 (0.53) | HCRTR2AURKAEPHB4CD63SYK | |
| SCHEMBL27181588 | 0.78 | HCRTR2 (0.53) | HCRTR2AURKAEPHB4CD63SYK |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4236938-A1 | MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS | Merck Sharp & Dohme LLC (US) | 2023-09-06 | — | — | EP | disclosed |
| CN-116600803-A | Macrocyclic urea orexin receptor agonists | 默沙东有限责任公司 | 2023-08-15 | — | — | CN | disclosed |
| WO-2022094012-A1 | MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2022-05-05 | — | — | WO | disclosed |
| WO-2022094012-A1 | MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2022-05-05 | — | — | WO | disclosed |