Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8544724 | 0.90 | AAK1 (0.30) | — | |
| SCHEMBL8546578 | 0.84 | DGAT1 (0.32) | NPC1RAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL8540411 | 0.84 | — | — | |
| SCHEMBL6968759 | 0.82 | RAB9A (0.35) | NPC1RAB9ASMN1; SMN2HSD17B10KDM4E | |
| SCHEMBL6968754 | 0.82 | RAB9A (0.35) | NPC1RAB9ASMN1; SMN2HSD17B10KDM4E | |
| SCHEMBL8542617 | 0.82 | RAB9A (0.35) | NPC1RAB9ASMN1; SMN2HSD17B10KDM4E | |
| SCHEMBL6970696 | 0.81 | NPC1 (0.45) | NPC1RAB9ASMN1; SMN2HSD17B10KDM4E | |
| SCHEMBL6966971 | 0.81 | NPC1 (0.33) | NPC1RAB9ASMN1; SMN2HSD17B10KDM4E | |
| SCHEMBL8544770 | 0.81 | MEN1 (0.39) | NPC1RAB9A | |
| SCHEMBL8545556 | 0.81 | AAK1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0736078-B1 | CHIRAL LIQUID CRYSTAL COMPOUNDS HAVING A PERFLUOROETHER TERMINAL PORTION | MINNESOTA MINING & MFG (US) | 1998-06-24 | — | — | EP | disclosed |
| US-5474705-A | Electrooptical displays | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1995-12-12 | — | — | US | disclosed |