Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.33 |
| ▸ | RELA | Q04206 | 3/20 | 0.33 |
| ▸ | RARB | P10826 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7107942 | 1.00 | NPC1 (0.38) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL7108665 | 0.97 | NPC1 (0.38) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL7108664 | 0.97 | NPC1 (0.38) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL6978943 | 0.95 | NPC1 (0.34) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL6979348 | 0.95 | NPC1 (0.34) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL6964679 | 0.95 | NPC1 (0.34) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL6964675 | 0.95 | NPC1 (0.34) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL6979343 | 0.95 | NPC1 (0.34) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL6966413 | 0.95 | NPC1 (0.34) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL6974983 | 0.94 | NPC1 (0.39) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1042302-B1 | LIQUID CRYSTAL COMPOUNDS HAVING A CHIRAL FLUORINATED TERMINAL PORTION | MINNESOTA MINING & MFG (US) | 2003-09-24 | — | — | EP | disclosed |
| US-6309561-B1 | Liquid crystal compounds having a chiral fluorinated terminal portion | 3M INNOVATIVE PROPERTIES COMPANY | 2001-10-30 | — | — | US | disclosed |
| EP-1042302-A1 | LIQUID CRYSTAL COMPOUNDS HAVING A CHIRAL FLUORINATED TERMINAL PORTION | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 2000-10-11 | — | — | EP | disclosed |
| WO-1999033814-A1 | LIQUID CRYSTAL COMPOUNDS HAVING A CHIRAL FLUORINATED TERMINAL PORTION | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1999-07-08 | — | — | WO | disclosed |