Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.63 |
| ▸ | RAB9A | P51151 | 5/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.63 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | RARB | P10826 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8749126 | 1.00 | NPC1 (0.63) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL8748888 | 1.00 | NPC1 (0.63) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL8748727 | 1.00 | NPC1 (0.63) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL8748813 | 1.00 | NPC1 (0.63) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL8749061 | 1.00 | NPC1 (0.63) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL8748530 | 1.00 | NPC1 (0.63) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL9239737 | 0.94 | NPC1 (0.71) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL13987904 | 0.94 | NPC1 (0.71) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL9235626 | 0.94 | NPC1 (0.71) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL9318472 | 0.94 | NPC1 (0.71) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0754685-A2 | Derivatives from alkoxyalkoxy substituted nitrogen containing hetero rings | Rolic AG (CH) | 1997-01-22 | — | — | EP | disclosed |