Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.39 |
| ▸ | MGAM | O43451 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | CHKA | P35790 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | P2RY6 | Q15077 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3264156 | 0.87 | LPL (0.46) | GFERGAA | |
| SCHEMBL6309545 | 0.85 | CA2 (0.52) | ESR1ESR2NR1H2NR1H3MGAM | |
| SCHEMBL19600562 | 0.85 | TAAR1 (0.56) | TAAR1MAOBCYP1A2CYP2A6 | |
| SCHEMBL10356878 | 0.83 | CA2 (0.50) | ESR1 | |
| SCHEMBL586534 | 0.80 | NR1H2 (0.50) | ESR1ESR2NR1H2NR1H3MGAM | |
| SCHEMBL8306401 | 0.80 | TP53 (0.46) | NR1H2NR1H3TAAR1CYP1A2CYP2A6 | |
| SCHEMBL19600573 | 0.79 | TAAR1 (0.36) | GFERNR1H2NR1H3MGAMGAA | |
| SCHEMBL5148656 | 0.79 | HSD17B10 (0.59) | ESR1GAA | |
| SCHEMBL8019084 | 0.79 | NR1H2 (0.31) | NR1H2NR1H3MGAMGAA | |
| SCHEMBL3470794 | 0.78 | CA1 (0.38) | ESR1NR1H2NR1H3MGAMGAA |
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 |