Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.60 |
| ▸ | RAB9A | P51151 | 1/20 | 0.60 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.57 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.57 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.54 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | BCL2 | P10415 | 1/20 | 0.50 |
| ▸ | ACACB | O00763 | 1/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.49 |
| ▸ | CTSS | P25774 | 6/20 | 0.49 |
| ▸ | CTSK | P43235 | 5/20 | 0.49 |
| ▸ | CTSL | P07711 | 1/20 | 0.48 |
| ▸ | CTSB | P07858 | 1/20 | 0.48 |
| ▸ | YAP1 | P46937 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL16173575 | 0.94 | ITGB3 (0.58) | GAARAB9AITGB3ITGA2BKLK5 | |
| SCHEMBL27700285 | 0.93 | ITGB3 (0.57) | GAARAB9AITGB3ITGA2BHDAC8 | |
| SCHEMBL8366868 | 0.93 | ITGB3 (0.57) | GAARAB9AITGB3ITGA2BHDAC8 | |
| SCHEMBL8366834 | 0.93 | ITGB3 (0.57) | GAARAB9AITGB3ITGA2BHDAC8 | |
| SCHEMBL14485559 | 0.91 | GAA (0.63) | GAARAB9AITGB3ITGA2BKLK5 | |
| SCHEMBL14485557 | 0.91 | GAA (0.63) | GAARAB9AITGB3ITGA2BKLK5 | |
| SCHEMBL15593763 | 0.90 | ITGB3 (0.64) | GAARAB9AITGB3ITGA2BKLK5 | |
| SCHEMBL16815979 | 0.90 | ITGB3 (0.64) | GAARAB9AITGB3ITGA2BKLK5 | |
| SCHEMBL4937967 | 0.90 | ITGB3 (0.61) | GAARAB9AITGB3ITGA2BKLK5 | |
| SCHEMBL4937975 | 0.90 | ITGB3 (0.61) | GAARAB9AITGB3ITGA2BKLK5 |
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 |