Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 9/20 | 0.46 |
| ▸ | IDO1 | P14902 | 8/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 4/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 4/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1076208 | 0.85 | HSP90AA1 (0.45) | TDO2IDO1HSP90AA1HSP90AB1CYP11B1 | |
| SCHEMBL19953054 | 0.81 | IDO1 (0.39) | TDO2IDO1HSP90AA1HSP90AB1 | |
| SCHEMBL19967304 | 0.78 | HSP90AA1 (0.49) | TDO2IDO1HSP90AA1HSP90AB1 | |
| SCHEMBL12676747 | 0.76 | CYP11B1 (0.50) | IDO1HSP90AA1HSP90AB1CYP11B1CYP11B2 | |
| SCHEMBL1133124 | 0.73 | HSP90AA1 (0.41) | TDO2IDO1HSP90AA1HSP90AB1CYP11B1 | |
| SCHEMBL27989475 | 0.72 | HTT (0.45) | TDO2IDO1HSP90AA1HSP90AB1CYP11B1 | |
| SCHEMBL19953047 | 0.72 | HSP90AA1 (0.45) | HSP90AA1HSP90AB1CYP11B1CYP11B2 | |
| SCHEMBL19953169 | 0.72 | CYP3A4 (0.43) | TDO2IDO1 | |
| SCHEMBL19953094 | 0.71 | HSP90AA1 (0.44) | HSP90AA1HSP90AB1CYP11B1CYP11B2 | |
| SCHEMBL1075925 | 0.71 | HSP90AA1 (0.47) | HSP90AA1HSP90AB1CYP11B1CYP11B2 |
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-2018048969-A1 | MULTI-TARGETED HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2018-03-15 | — | — | WO | disclosed |