Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 4/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | CALCRL | Q16602 | 2/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 3/20 | 0.46 |
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
| ▸ | NMUR2 | Q9GZQ4 | 1/20 | 0.44 |
| ▸ | STAT3 | P40763 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 4/20 | 0.44 |
| ▸ | CTSD | P07339 | 2/20 | 0.44 |
| ▸ | NTSR2 | O95665 | 1/20 | 0.44 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.44 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL31026619 | 0.94 | CAPN1 (0.52) | CAPN1SLC6A2CALCRLKEAP1CTSB | |
| SCHEMBL31484229 | 0.93 | CAPN1 (0.51) | CAPN1SLC6A2CALCRLCTSBSTAT3 | |
| SCHEMBL31026621 | 0.91 | CAPN1 (0.52) | CAPN1SLC6A2CTSBSTAT3NTSR2 | |
| SCHEMBL31410876 | 0.90 | CALCRL (0.49) | CAPN1SLC6A2CALCRLKEAP1CTSB | |
| SCHEMBL31026618 | 0.89 | NTSR1 (0.49) | CAPN1CALCRLBACE1NTSR2NTSR1 | |
| SCHEMBL30687535 | 0.89 | CAPN1 (0.47) | CAPN1SLC6A2CALCRLKEAP1CTSB | |
| SCHEMBL29498765 | 0.87 | CAPN1 (0.48) | CAPN1SLC6A2CALCRLCTSBSTAT3 | |
| SCHEMBL8937022 | 0.87 | CAPN1 (0.49) | CAPN1CALCRLNTSR2NTSR1 | |
| SCHEMBL8937016 | 0.87 | CAPN1 (0.49) | CAPN1CALCRLNTSR2NTSR1 | |
| SCHEMBL31228800 | 0.87 | OPRM1 (0.48) | CAPN1KEAP1NMUR2NTSR2NTSR1 |
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-20240350475-A1 | TRIGONELLINE MITIGATES CARDIOMYOPATHY CAUSED BY SARS-COV-2 SPIKE PROTEIN UNDER OBESITY | UNIVERSITY OF SOUTH CAROLINA (US) | 2024-10-24 | — | — | US | disclosed |