Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR2 | O43614 | 10/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 2/20 | 0.32 |
| ▸ | SYK | P43405 | 4/20 | 0.32 |
| ▸ | CD63 | P08962 | 1/20 | 0.31 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.31 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24387380 | 1.00 | HCRTR2 (0.39) | HCRTR2PDE3BPDE3AAURKASYK | |
| SCHEMBL24386998 | 0.83 | HCRTR2 (0.40) | HCRTR2PDE3BPDE3AAURKANTRK1 | |
| SCHEMBL29102897 | 0.80 | HCRTR2 (0.47) | HCRTR2PDE3BPDE3ASYKCD63 | |
| SCHEMBL24387104 | 0.80 | HCRTR2 (0.47) | HCRTR2PDE3BPDE3ASYKCD63 | |
| SCHEMBL29102718 | 0.78 | HCRTR2 (0.40) | HCRTR2PDE3BPDE3A | |
| SCHEMBL29102722 | 0.78 | HCRTR2 (0.40) | HCRTR2PDE3BPDE3A | |
| SCHEMBL29102719 | 0.78 | HCRTR2 (0.40) | HCRTR2PDE3BPDE3A | |
| SCHEMBL29749867 | 0.78 | HCRTR2 (0.40) | HCRTR2PDE3BPDE3A | |
| SCHEMBL24529270 | 0.78 | HCRTR2 (0.49) | HCRTR2PDE3BPDE3AAURKASYK | |
| SCHEMBL29102887 | 0.77 | OPRK1 (0.31) | HCRTR2AURKA |
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 |
|---|---|---|---|---|---|---|---|
| CN-116600803-A | Macrocyclic urea orexin receptor agonists | 默沙东有限责任公司 | 2023-08-15 | — | — | CN | disclosed |