Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 7/20 | 0.58 |
| ▸ | NR1H3 | Q13133 | 7/20 | 0.58 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | MLYCD | O95822 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | SLC6A9 | P48067 | 5/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | MTOR | P42345 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3980882 | 1.00 | NR1H2 (0.58) | NR1H2NR1H3RAB9AMAPTMLYCD | |
| SCHEMBL3979281 | 0.83 | NR1H2 (0.52) | NR1H2NR1H3RAB9AMAPTMLYCD | |
| SCHEMBL3979305 | 0.83 | NR1H2 (0.52) | NR1H2NR1H3RAB9AMAPTMLYCD | |
| SCHEMBL3979307 | 0.83 | NR1H2 (0.52) | NR1H2NR1H3RAB9AMAPTMLYCD | |
| SCHEMBL3985462 | 0.82 | NR1H2 (0.44) | NR1H2NR1H3RAB9AMAPTNPC1 | |
| SCHEMBL3979827 | 0.81 | NR1H2 (0.44) | NR1H2NR1H3RAB9AMLYCDNPC1 | |
| SCHEMBL3980357 | 0.81 | SLC6A4 (0.44) | NR1H2NR1H3RAB9AMLYCDNPC1 | |
| SCHEMBL3978459 | 0.79 | MAPT (0.69) | NR1H2NR1H3RAB9AMAPTMLYCD | |
| SCHEMBL3975906 | 0.76 | NR1H2 (0.56) | NR1H2NR1H3SLC6A9MEN1KMT2A | |
| SCHEMBL1033729 | 0.76 | MLYCD (0.61) | NR1H2NR1H3RAB9AMAPTMLYCD |
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-1802566-A1 | HEXAFLUOROISOPROPANOL SUBSTITUTED ETHER DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2007-07-04 | — | — | EP | disclosed |
| WO-2006037480-A1 | HEXAFLUOROISOPROPANOL SUBSTITUTED ETHER DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2006-04-13 | — | — | WO | disclosed |