Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | BRD4 | O60885 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20154962 | 0.91 | NPC1 (0.33) | SMN1; SMN2HSD17B10NPC1ALDH1A1KDM4E | |
| SCHEMBL20155678 | 0.88 | CHKA (0.33) | SMN1; SMN2NPC1KDM4E | |
| SCHEMBL20155071 | 0.83 | ACKR3 (0.37) | NPC1 | |
| SCHEMBL20154951 | 0.82 | NPC1 (0.36) | NPC1 | |
| SCHEMBL20154958 | 0.82 | NPC1 (0.39) | HTTNPC1 | |
| SCHEMBL20154954 | 0.81 | PARP1 (0.37) | — | |
| SCHEMBL20154955 | 0.77 | KDM4C (0.32) | BRD4NPC1 | |
| SCHEMBL20155035 | 0.76 | NPC1 (0.36) | NPC1 | |
| SCHEMBL20155034 | 0.75 | NPC1 (0.36) | NPC1 | |
| SCHEMBL20155336 | 0.75 | BRD4 (0.48) | 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-2018086604-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 |