Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8963185 | 1.00 | NPC1 (0.32) | NPC1RAB9AKDM4E | |
| SCHEMBL8962762 | 0.91 | NFKB1 (0.33) | NPC1RAB9AKDM4E | |
| SCHEMBL8962758 | 0.91 | NFKB1 (0.33) | NPC1RAB9AKDM4E | |
| SCHEMBL8963177 | 0.90 | SPHK1 (0.37) | NPC1RAB9A | |
| SCHEMBL8963172 | 0.90 | SPHK1 (0.37) | NPC1RAB9A | |
| SCHEMBL8962927 | 0.88 | PDE8B (0.31) | — | |
| SCHEMBL8962934 | 0.88 | PDE8B (0.31) | — | |
| SCHEMBL8962887 | 0.86 | NISCH (0.33) | NPC1RAB9AKDM4E | |
| SCHEMBL8962644 | 0.82 | — | — | |
| SCHEMBL8962647 | 0.82 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0559860-B1 | HALOVINYL-DERIVATIVES | HOFFMANN LA ROCHE (CH) | 1996-02-14 | — | — | EP | disclosed |
| US-5364556-A | Halovinyl-derivatives | HOFFMANN-LA ROCHE INC. (US) | 1994-11-15 | — | — | US | disclosed |