Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHKA | P35790 | 8/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | 0.96 | NPC1 (0.33) | KDM4ETSHRSMN1; SMN2NPC1TDP1 | |
| SCHEMBL20155261 | 0.88 | SMN1; SMN2 (0.35) | KDM4ESMN1; SMN2NPC1 | |
| SCHEMBL20154954 | 0.85 | PARP1 (0.37) | — | |
| SCHEMBL20155071 | 0.83 | ACKR3 (0.37) | NPC1 | |
| SCHEMBL20154958 | 0.80 | NPC1 (0.39) | NPC1 | |
| SCHEMBL20154951 | 0.80 | NPC1 (0.36) | NPC1 | |
| SCHEMBL20155018 | 0.77 | BRD4 (0.45) | — | |
| SCHEMBL20155677 | 0.75 | CHKA (0.34) | CHKAHTR6KDM4ETSHRSMN1; SMN2 | |
| SCHEMBL20154955 | 0.75 | KDM4C (0.32) | NPC1 | |
| SCHEMBL20155035 | 0.74 | NPC1 (0.36) | NPC1 |
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 |