Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.44 |
| ▸ | RAB9A | P51151 | 6/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | HPGD | P15428 | 4/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 3/20 | 0.37 |
| ▸ | HTR2C | P28335 | 3/20 | 0.37 |
| ▸ | HTR1B | P28222 | 2/20 | 0.37 |
| ▸ | HTR2B | P41595 | 2/20 | 0.37 |
| ▸ | RARB | P10826 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9426855 | 1.00 | NPC1 (0.44) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL7505484 | 0.99 | NPC1 (0.45) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL10000265 | 0.90 | NPC1 (0.51) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL8719368 | 0.89 | KDM4E (0.48) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL7878933 | 0.87 | NPC1 (0.50) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL10000263 | 0.87 | RAB9A (0.50) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL7877167 | 0.86 | NPC1 (0.51) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL9228238 | 0.86 | NPC1 (0.51) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL7872538 | 0.85 | RAB9A (0.48) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL7883604 | 0.85 | RAB9A (0.48) | 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 |
|---|---|---|---|---|---|---|---|
| US-5360576-A | Chiral alkenylaryl 2,3-epoxyalkyl ethers, and the use thereof in liquid-crystalline mixtures | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-11-01 | — | — | US | disclosed |