Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8769673 | 0.74 | TSHR (0.42) | TSHRCYP3A4ALDH1A1HPGDCES2 | |
| SCHEMBL15744637 | 0.74 | TSHR (0.42) | TSHRCYP3A4ALDH1A1HPGDCES2 | |
| SCHEMBL28206674 | 0.74 | TSHR (0.42) | TSHRCYP3A4ALDH1A1HPGDCES2 | |
| SCHEMBL7558590 | 0.74 | TSHR (0.37) | TSHRCYP3A4ALDH1A1HPGDCES2 | |
| SCHEMBL7558521 | 0.74 | TSHR (0.37) | TSHRCYP3A4ALDH1A1HPGDCES2 | |
| SCHEMBL7558520 | 0.73 | TSHR (0.36) | TSHRCYP3A4ALDH1A1HPGDCES2 | |
| SCHEMBL7755415 | 0.72 | TSHR (0.35) | TSHRCYP3A4ALDH1A1HPGDCES2 | |
| SCHEMBL9055510 | 0.71 | EPHX1 (0.35) | TSHRHPGDCES2 | |
| SCHEMBL7557793 | 0.69 | CES2 (0.41) | TSHRHPGDCES2 | |
| SCHEMBL19731661 | 0.68 | CA1 (0.35) | TSHRALDH1A1HPGDCES2 |
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 |