Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 13/20 | 0.38 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.38 |
| ▸ | KCNQ3 | O43525 | 3/20 | 0.37 |
| ▸ | KCNQ2 | O43526 | 3/20 | 0.37 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.37 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL20159922 | 0.87 | BRD4 (0.47) | BRD4 | |
| SCHEMBL20159918 | 0.86 | BRPF1 (0.53) | NPC1MAPTRAB9ABRD4BRPF1 | |
| SCHEMBL20160087 | 0.78 | BRD4 (0.40) | NPC1MAPTRAB9ABRD4BRPF1 | |
| SCHEMBL20160243 | 0.76 | BRPF1 (0.51) | NPC1MAPTRAB9ABRD4BRPF1 | |
| SCHEMBL20159916 | 0.75 | BRD9 (0.41) | MAPTBRD4BRPF1 | |
| SCHEMBL20159867 | 0.75 | BRD9 (0.56) | MAPTBRD4BRPF1 | |
| SCHEMBL20160293 | 0.72 | BRD4 (0.43) | NPC1BRD4LMNA | |
| SCHEMBL20160050 | 0.70 | BRD4 (0.46) | BRD4BRPF1 | |
| SCHEMBL20160415 | 0.70 | ALDH1A1 (0.46) | MAPTBRD4BRPF1CYP1A2CYP2C9 | |
| SCHEMBL20160251 | 0.69 | BRD4 (0.41) | BRD4 |
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-2018086585-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |