Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.91 |
| ▸ | RAB9A | P51151 | 1/20 | 0.91 |
| ▸ | ACACB | O00763 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | GLA | P06280 | 1/20 | 0.59 |
| ▸ | PPARG | P37231 | 1/20 | 0.58 |
| ▸ | KLKB1 | P03952 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.57 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.57 |
| ▸ | CTSL | P07711 | 2/20 | 0.55 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.54 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.54 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.54 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.54 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.54 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL22604665 | 1.00 | GAA (0.91) | GAARAB9AACACBALDH1A1LMNA | |
| SCHEMBL22604589 | 0.94 | GAA (0.85) | GAARAB9AACACBALDH1A1LMNA | |
| SCHEMBL13669587 | 0.94 | GAA (0.85) | GAARAB9AACACBALDH1A1LMNA | |
| SCHEMBL22604588 | 0.94 | GAA (0.85) | GAARAB9AACACBALDH1A1LMNA | |
| SCHEMBL22604666 | 0.90 | GAA (0.73) | GAARAB9AACACBPPARGKLKB1 | |
| SCHEMBL23906466 | 0.88 | GAA (0.70) | GAARAB9AACACBPPARGKLKB1 | |
| SCHEMBL2461492 | 0.87 | GAA (0.76) | GAARAB9AALDH1A1LMNAGLA | |
| SCHEMBL1793176 | 0.87 | GAA (0.76) | GAARAB9AALDH1A1LMNAGLA | |
| SCHEMBL31206887 | 0.87 | GAA (0.76) | GAARAB9AALDH1A1LMNAGLA | |
| SCHEMBL1123055 | 0.86 | GAA (0.80) | GAARAB9AALDH1A1LMNAGLA |
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 |