Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | RARB | P10826 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | PLA2G4B | P0C869 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9222998 | 1.00 | NPC1 (0.51) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL10470398 | 0.89 | NPC1 (0.52) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL10470005 | 0.89 | NPC1 (0.52) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL10468717 | 0.89 | NPC1 (0.52) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL10469999 | 0.89 | NPC1 (0.52) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL10470458 | 0.89 | NPC1 (0.52) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL10468738 | 0.89 | NPC1 (0.52) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL10468872 | 0.89 | NPC1 (0.52) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL10470373 | 0.89 | NPC1 (0.52) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL10470602 | 0.89 | NPC1 (0.52) | 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 |
|---|---|---|---|---|---|---|---|
| WO-1993006192-A1 | FERROELECTRIC LIQUID CRYSTAL COMPOUNDS CONTAINING CHIRAL HALOALKOXY TAIL UNITS AND COMPOSITIONS CONTAINING THEM | DISPLAYTECH, INCORPORATED (US) | 1993-04-01 | — | — | WO | disclosed |