Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 7/20 | 0.48 |
| ▸ | BRD4 | O60885 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20177848 | 0.81 | ALDH1A1 (0.39) | GSK3BALDH1A1MAPTHTTLMNA | |
| SCHEMBL20177851 | 0.80 | BRD4 (0.54) | BRD4MAPTPDE4APDE4BPDE4C | |
| SCHEMBL20177560 | 0.71 | ALDH1A1 (0.43) | ALDH1A1MAPTLMNAKMT2APDE4A | |
| SCHEMBL11183526 | 0.68 | ALDH1A1 (0.50) | GSK3BALDH1A1MAPTHTTLMNA | |
| SCHEMBL23043784 | 0.66 | HTT (0.54) | ALDH1A1MAPTHTTLMNAKMT2A | |
| SCHEMBL29740649 | 0.65 | MAPT (0.47) | ALDH1A1MAPTHTTLMNAKMT2A | |
| SCHEMBL1628707 | 0.65 | MAPT (0.47) | ALDH1A1MAPTHTTLMNAKMT2A | |
| SCHEMBL10620885 | 0.65 | MAPT (0.53) | GSK3BALDH1A1MAPTHTTLMNA | |
| SCHEMBL29978521 | 0.65 | HTT (0.52) | GSK3BALDH1A1MAPTHTTLMNA | |
| SCHEMBL23043626 | 0.65 | HTT (0.52) | GSK3BALDH1A1MAPTHTTLMNA |
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-2018092916-A1 | NITROGEN-CONTAINING POLYCYCLIC HETEROCYCLIC DERIVATIVE | 宇部興産株式会社 | 2018-05-24 | — | — | WO | disclosed |