Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.45 |
| ▸ | RAB9A | P51151 | 5/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | RARB | P10826 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | STS | P08842 | 5/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7105761 | 0.88 | RARB (0.51) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL7104301 | 0.87 | NPC1 (0.50) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL7105435 | 0.87 | NPC1 (0.50) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL7106718 | 0.84 | PDK2 (0.38) | NPC1SMN1; SMN2MAPTTP53TSHR | |
| SCHEMBL8668283 | 0.79 | RAB9A (0.46) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL8167642 | 0.79 | P4HTM (0.40) | CA1CA2 | |
| SCHEMBL7061028 | 0.78 | RAB9A (0.48) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL7067575 | 0.78 | RAB9A (0.48) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL9235626 | 0.78 | NPC1 (0.71) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL6017545 | 0.78 | NPC1 (0.71) | 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 |