Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 2/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | LPL | P06858 | 1/20 | 0.41 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 4/20 | 0.40 |
| ▸ | PPARG | P37231 | 2/20 | 0.40 |
| ▸ | PPARD | Q03181 | 2/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.40 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.40 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2553722 | 0.94 | ALDH1A1 (0.54) | ALDH1A1TP53CYP3A4ALOX15TSHR | |
| SCHEMBL584333 | 0.84 | ALDH1A1 (0.56) | ALDH1A1TP53CYP3A4ALOX15TSHR | |
| SCHEMBL20058177 | 0.83 | THRB (0.47) | TSHRTHRBMCL1LPLLIPG | |
| SCHEMBL24125045 | 0.83 | RARB (0.43) | ALDH1A1TP53CYP3A4ALOX15TSHR | |
| SCHEMBL9504970 | 0.83 | ALDH1A1 (0.52) | ALDH1A1TP53CYP3A4ALOX15TSHR | |
| SCHEMBL9617250 | 0.82 | ACACB (0.44) | ALDH1A1TP53CYP3A4ALOX15TSHR | |
| Water SCHEMBL28100235 | 0.82 | ALDH1A1 (0.54) | ALDH1A1TP53CYP3A4ALOX15TSHR | |
| SCHEMBL4802707 | 0.82 | LPL (0.54) | TSHRMCL1LPLLIPGCNR2 | |
| SCHEMBL7188791 | 0.81 | THRB (0.55) | ALDH1A1TP53CYP3A4ALOX15TSHR | |
| SCHEMBL8857437 | 0.81 | ALDH1A1 (0.45) | ALDH1A1TP53CYP3A4ALOX15TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-20050101063-A1 | Three-terminal field-controlled molecular devices | TOUR JAMES M (US) | 2005-05-12 | — | — | US | disclosed |
| WO-2002035580-A2 | THREE-TERMINAL FIELD-CONTROLLED MOLECULAR DEVICES | MOLECULAR ELECTRONICS CORPORATION (US) | 2002-05-02 | — | — | WO | disclosed |