Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | PRNP | P04156 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12871413 | 0.81 | CYP11B1 (0.51) | CYP11B1CYP11B2NOTUMALDH1A1HTT | |
| SCHEMBL13591314 | 0.78 | NISCH (0.42) | CYP11B1CYP11B2NOTUMALDH1A1HTT | |
| SCHEMBL28875503 | 0.77 | MAPT (0.39) | CYP11B1CYP11B2ALDH1A1HTT | |
| SCHEMBL19805954 | 0.74 | PARP1 (0.41) | CYP11B1CYP11B2ALDH1A1 | |
| SCHEMBL13392140 | 0.74 | TDP1 (0.38) | CYP11B1CYP11B2NOTUMALDH1A1HTT | |
| SCHEMBL3220813 | 0.71 | ABCG2 (0.44) | NOTUMALDH1A1HTT | |
| SCHEMBL29450351 | 0.71 | ABCG2 (0.44) | NOTUMALDH1A1HTT | |
| SCHEMBL14848951 | 0.71 | MAPT (0.42) | CYP11B1CYP11B2ALDH1A1HTT | |
| SCHEMBL17423914 | 0.68 | LPL (0.39) | CYP11B1CYP11B2 | |
| SCHEMBL12765189 | 0.68 | TSHR (0.43) | ALDH1A1HTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3305297-A1 | TREATMENT OF NEURODEGENERATIVE DISEASES THROUGH INHIBITION OF HSP90 | Sloan-Kettering Institute for Cancer Research (US) | 2018-04-11 | — | — | EP | disclosed |