Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.33 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8518016 | 0.91 | NPC1 (0.40) | NPC1RAB9ASMN1; SMN2TP53PKM | |
| SCHEMBL8518127 | 0.88 | AURKA (0.41) | NPC1RAB9ASMN1; SMN2TP53PKM | |
| SCHEMBL8517923 | 0.87 | SMN1; SMN2 (0.45) | NPC1RAB9ASMN1; SMN2TP53PKM | |
| SCHEMBL8517924 | 0.87 | SMN1; SMN2 (0.45) | NPC1RAB9ASMN1; SMN2TP53PKM | |
| SCHEMBL8517919 | 0.87 | SMN1; SMN2 (0.45) | NPC1RAB9ASMN1; SMN2TP53PKM | |
| SCHEMBL9313079 | 0.87 | SMN1; SMN2 (0.45) | NPC1RAB9ASMN1; SMN2TP53PKM | |
| SCHEMBL8517670 | 0.87 | NPY5R (0.34) | GRM2CACNA1HGRIN2B | |
| SCHEMBL8517342 | 0.85 | RAB9A (0.37) | NPC1RAB9ASMN1; SMN2TP53PKM | |
| SCHEMBL8518256 | 0.85 | CYP17A1 (0.38) | CYP11B1CYP11B2GRIN2B | |
| SCHEMBL9138846 | 0.84 | NPC1 (0.42) | NPC1RAB9ASMN1; SMN2TP53PKM |
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-0475273-B1 | Liquid crystal mixture containing halogenated alcenyl compounds | MERCK PATENT GMBH (DE) | 1999-04-07 | — | — | EP | disclosed |
| US-5292452-A | Electrooptical devices; high dielectric anisotropy, low rotation viscosity, short response time | HOFFMANN-LA ROCHE INC. (US) | 1994-03-08 | — | — | US | disclosed |
| EP-0475273-A1 | Halogenated alcenyl compounds | F. HOFFMANN-LA ROCHE AG (CH) | 1992-03-18 | — | — | EP | disclosed |