Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL8769302 | 0.85 | CA1 (0.35) | CA1CA2 | |
| SCHEMBL8769279 | 0.77 | CA1 (0.41) | TSHRCA1CA2 | |
| SCHEMBL9047614 | 0.77 | CA1 (0.41) | TSHRCA1CA2 | |
| SCHEMBL7750870 | 0.73 | CYP3A4 (0.32) | TSHRCYP3A4CA1CA2 | |
| SCHEMBL4456004 | 0.73 | CA2 (0.47) | TSHRCA1CA2 | |
| SCHEMBL9056624 | 0.73 | CES2 (0.32) | — | |
| SCHEMBL7754051 | 0.72 | CA1 (0.32) | TSHRCYP3A4CA1CA2 | |
| SCHEMBL7755406 | 0.72 | CA1 (0.32) | TSHRCYP3A4CA1CA2 | |
| SCHEMBL7750709 | 0.72 | CA1 (0.32) | TSHRCYP3A4CA1CA2 | |
| SCHEMBL7755422 | 0.72 | CA1 (0.32) | TSHRCYP3A4CA1CA2 |
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 1 patent. 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 |