Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL7750709 | 0.99 | CA1 (0.32) | CYP3A4TSHRCA1CA2 | |
| SCHEMBL7754051 | 0.99 | CA1 (0.32) | CYP3A4TSHRCA1CA2 | |
| SCHEMBL7755422 | 0.99 | CA1 (0.32) | CYP3A4TSHRCA1CA2 | |
| SCHEMBL7755406 | 0.99 | CA1 (0.32) | CYP3A4TSHRCA1CA2 | |
| SCHEMBL7756860 | 0.95 | CES2 (0.36) | CA1CA2 | |
| SCHEMBL7755219 | 0.94 | CES2 (0.35) | CA1CA2 | |
| SCHEMBL7750839 | 0.92 | CYP3A4 (0.30) | CYP3A4TSHR | |
| SCHEMBL7750821 | 0.86 | CA1 (0.30) | CA1CA2 | |
| SCHEMBL8769496 | 0.82 | TSHR (0.38) | CYP3A4TSHR | |
| SCHEMBL7558635 | 0.80 | CES2 (0.35) | CYP3A4TSHRCA1CA2 |
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-0792255-B1 | LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS | MINNESOTA MINING & MFG (US) | 2001-02-28 | — | — | EP | disclosed |
| WO-1996015092-A1 | LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1996-05-23 | — | — | WO | disclosed |
| US-5482650-A | Liquid crystal compounds having perfluoroether terminal portions | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1996-01-09 | — | — | US | disclosed |