Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28974267 | 0.88 | CES1 (0.33) | CES1 | |
| SCHEMBL4870644 | 0.86 | CES1 (0.34) | TSHRCYP3A4CES1CES2 | |
| SCHEMBL7750849 | 0.86 | TSHR (0.39) | TSHRCYP3A4CES1MEN1THRB | |
| SCHEMBL7754447 | 0.86 | TSHR (0.39) | TSHRCYP3A4CES1MEN1THRB | |
| SCHEMBL7755446 | 0.86 | TSHR (0.35) | TSHRCYP3A4CES1MEN1THRB | |
| Fluoride SCHEMBL28026973 | 0.85 | TSHR (0.38) | TSHRCYP3A4CES1MEN1THRB | |
| SCHEMBL7755406 | 0.84 | CA1 (0.32) | TSHRCYP3A4 | |
| SCHEMBL7754051 | 0.84 | CA1 (0.32) | TSHRCYP3A4 | |
| SCHEMBL7750709 | 0.84 | CA1 (0.32) | TSHRCYP3A4 | |
| SCHEMBL7755422 | 0.84 | CA1 (0.32) | TSHRCYP3A4 |
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-0792255-A1 | LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1997-09-03 | — | — | EP | disclosed |
| WO-1996015092-A1 | LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1996-05-23 | — | — | WO | disclosed |