Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.41 |
| ▸ | RAB9A | P51151 | 6/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | LTA4H | P09960 | 2/20 | 0.37 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6966979 | 0.92 | NPC1 (0.42) | NPC1RAB9ASMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL8540324 | 0.89 | RAB9A (0.40) | NPC1RAB9ASMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL7557759 | 0.87 | LTA4H (0.40) | SMN1; SMN2LTA4HNR5A1NPSR1ESR1 | |
| SCHEMBL7561656 | 0.86 | LTA4H (0.43) | NPC1RAB9ASMN1; SMN2MAPTLTA4H | |
| SCHEMBL8540414 | 0.84 | NPC1 (0.42) | NPC1RAB9ASMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL8545562 | 0.82 | NPSR1 (0.37) | NPC1RAB9ASMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL8542624 | 0.81 | RAB9A (0.37) | NPC1RAB9ASMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL8546600 | 0.80 | NPSR1 (0.37) | NPC1RAB9ASMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL7558570 | 0.78 | LTA4H (0.35) | NPC1RAB9ASMN1; SMN2MAPTLTA4H | |
| SCHEMBL7557758 | 0.76 | NPC1 (0.48) | NPC1RAB9ASMN1; SMN2KDM4EHSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0736078-B1 | CHIRAL LIQUID CRYSTAL COMPOUNDS HAVING A PERFLUOROETHER TERMINAL PORTION | MINNESOTA MINING & MFG (US) | 1998-06-24 | — | — | EP | disclosed |
| EP-0736078-A1 | CHIRAL LIQUID CRYSTAL COMPOUNDS HAVING A PERFLUOROETHER TERMINAL PORTION | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1996-10-09 | — | — | EP | disclosed |
| WO-1995017481-A1 | CHIRAL LIQUID CRYSTAL COMPOUNDS HAVING A PERFLUOROETHER TERMINAL PORTION | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1995-06-29 | — | — | WO | disclosed |