Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 2/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 7/20 | 0.34 |
| ▸ | HSP90AB1 | P08238 | 7/20 | 0.34 |
| ▸ | PPARD | Q03181 | 2/20 | 0.34 |
| ▸ | PPARA | Q07869 | 2/20 | 0.34 |
| ▸ | RXRA | P19793 | 2/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19953054 | 0.88 | IDO1 (0.39) | PTGS2HTR6HTR1AHTR7POLB | |
| SCHEMBL19953047 | 0.81 | HSP90AA1 (0.45) | HSP90AA1HSP90AB1 | |
| SCHEMBL19953125 | 0.74 | CYP11B2 (0.37) | HTR6HTR1AHTR7HSP90AA1HSP90AB1 | |
| SCHEMBL19953046 | 0.71 | HSP90AA1 (0.41) | HTR6HTR1AHTR7HSP90AA1HSP90AB1 | |
| SCHEMBL19953001 | 0.71 | HSP90AA1 (0.42) | PTGS2HTR6HTR1AHTR7HSP90AA1 | |
| SCHEMBL6290646 | 0.69 | PTGS2 (0.64) | PTGS2 | |
| SCHEMBL1071938 | 0.69 | HSP90AA1 (0.50) | HTR6HSP90AA1HSP90AB1HTR2A | |
| SCHEMBL19953094 | 0.69 | HSP90AA1 (0.44) | PTGS2HSP90AA1HSP90AB1 | |
| SCHEMBL19953061 | 0.69 | HSP90AA1 (0.51) | HSP90AA1HSP90AB1 | |
| SCHEMBL27933810 | 0.69 | NPY5R (0.48) | MAOAMAOBSCN5A |
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 |