Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1110782 | 0.80 | PTGS2 (0.44) | PTGS2POLBAOC3KCNH2PIK3CA | |
| SCHEMBL19953110 | 0.77 | PTGS2 (0.40) | PTGS2PTGS1AOC3KCNH2 | |
| SCHEMBL1110963 | 0.75 | PTGS2 (0.44) | PTGS2AOC3KCNH2PIK3CA | |
| SCHEMBL1074708 | 0.75 | PTGS2 (0.42) | PTGS2AOC3KCNH2PIK3CAKDM4E | |
| SCHEMBL19953171 | 0.74 | POLB (0.41) | POLBAOC3KCNH2NOTUMKDM4E | |
| SCHEMBL19953079 | 0.74 | HSP90AA1 (0.48) | POLBAOC3KCNH2 | |
| SCHEMBL19953198 | 0.73 | PTGS2 (0.68) | PTGS2PTGS1AOC3KCNH2PIK3CA | |
| SCHEMBL19953204 | 0.69 | PTGS2 (0.49) | PTGS2AOC3KCNH2ALDH1A1 | |
| SCHEMBL1075327 | 0.68 | PTGS2 (0.49) | PTGS2PTGS1 | |
| SCHEMBL2450998 | 0.67 | PTGS2 (0.40) | PTGS2POLB |
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 |