Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.73 |
| ▸ | RAB9A | P51151 | 1/20 | 0.73 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.69 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.69 |
| ▸ | ACACB | O00763 | 1/20 | 0.67 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.61 |
| ▸ | ITGAV | P06756 | 1/20 | 0.61 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.61 |
| ▸ | PTPN1 | P18031 | 5/20 | 0.60 |
| ▸ | GPR132 | Q9UNW8 | 2/20 | 0.60 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.59 |
| ▸ | PPARG | P37231 | 1/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | ACE | P12821 | 2/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.55 |
| ▸ | CDC25B | P30305 | 1/20 | 0.55 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL22604586 | 0.94 | GAA (0.69) | GAARAB9AITGB3ITGA2BACACB | |
| SCHEMBL4359888 | 0.94 | GAA (0.69) | GAARAB9AITGB3ITGA2BACACB | |
| SCHEMBL27679113 | 0.94 | GAA (0.69) | GAARAB9AITGB3ITGA2BACACB | |
| SCHEMBL23906466 | 0.90 | GAA (0.70) | GAARAB9AITGB3ITGA2BACACB | |
| SCHEMBL22604665 | 0.90 | GAA (0.91) | GAARAB9AITGB3ITGA2BACACB | |
| SCHEMBL22604667 | 0.90 | GAA (0.91) | GAARAB9AITGB3ITGA2BACACB | |
| SCHEMBL6182299 | 0.87 | GPR132 (0.77) | ITGB3ITGA2BPTPN1GPR132PPARG | |
| SCHEMBL27871431 | 0.87 | GPR132 (0.77) | ITGB3ITGA2BPTPN1GPR132PPARG | |
| SCHEMBL9461988 | 0.86 | PTPN1 (0.73) | GAARAB9AITGB3ITGA2BITGB1 | |
| SCHEMBL9461442 | 0.86 | PTPN1 (0.73) | GAARAB9AITGB3ITGA2BITGB1 |
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-2020216240-A1 | DICYCLIC ALKANE COMPOUND USEFUL AS INHIBITOR OF PLASMA KALLIKREIN | 南京明德新药研发有限公司 | 2020-10-29 | — | — | WO | disclosed |