Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.52 |
| ▸ | RAB9A | P51151 | 6/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.44 |
| ▸ | RARB | P10826 | 4/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11610771 | 0.97 | KDM4E (0.52) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL11612344 | 0.96 | KDM4E (0.54) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL11613047 | 0.96 | KDM4E (0.54) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL11610058 | 0.95 | ALDH1A1 (0.46) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL11613419 | 0.89 | KDM4E (0.43) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL11610881 | 0.84 | NPC1 (0.59) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL11616487 | 0.84 | RAB9A (0.47) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL11612196 | 0.83 | RAB9A (0.52) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL11614194 | 0.82 | HSD17B10 (0.54) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL11612558 | 0.82 | NPC1 (0.57) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4066570-A | OPTICAL CELLS, NEMATIC MIXTURES, LIQUID CRYSTALS | HOFFMAN-LA ROCHE INC. (US) | 1978-01-03 | — | — | US | disclosed |
| US-3997536-A | LIQUID CRYSTALS | HOFFMANN-LA ROCHE INC. (US) | 1976-12-14 | — | — | US | disclosed |