Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | AKT1 | P31749 | 8/20 | 0.48 |
| ▸ | AKT2 | P31751 | 3/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | PRKACA | P17612 | 1/20 | 0.45 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.45 |
| ▸ | GSK3B | P49841 | 1/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.45 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.45 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.45 |
| ▸ | CACNG2 | Q9Y698 | 1/20 | 0.45 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13023868 | 1.00 | ESR1 (0.52) | ESR1ESR2ALDH1A1TSHRCYP2C19 | |
| SCHEMBL15437481 | 0.93 | ESR1 (0.57) | ESR1ESR2ALDH1A1TSHRCYP2C19 | |
| SCHEMBL65343 | 0.93 | ALDH1A1 (0.55) | ALDH1A1TSHRCYP2C19AKT1AKT2 | |
| SCHEMBL18082487 | 0.92 | ESR1 (0.56) | ESR1ESR2ALDH1A1TSHRCYP2C19 | |
| SCHEMBL13053031 | 0.91 | ALDH1A1 (0.54) | ALDH1A1TSHRCYP2C19AKT1AKT2 | |
| SCHEMBL13053034 | 0.87 | AKT1 (0.51) | ALDH1A1TSHRCYP2C19AKT1AKT2 | |
| SCHEMBL13998758 | 0.87 | AKT1 (0.53) | ALDH1A1TSHRCYP2C19AKT1AKT2 | |
| SCHEMBL13314059 | 0.87 | AKT1 (0.57) | ALDH1A1TSHRCYP2C19AKT1AKT2 | |
| SCHEMBL64508 | 0.87 | ESR2 (0.66) | ESR1ESR2ALDH1A1TSHRCYP2C19 | |
| SCHEMBL3257779 | 0.87 | ESR2 (0.66) | ESR1ESR2ALDH1A1TSHRCYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-9287507-B2 | Organic electroluminescent element, compounds and materials used for the organic electroluminescent element, and light-emitting, display and illuminating devices using the elements | UDC Ireland (IE) | 2016-03-15 | — | — | US | disclosed |
| US-20130214259-A1 | ORGANIC ELECTROLUMINESCENT ELEMENT, COMPOUNDS AND MATERIALS USED FOR THE ORGANIC ELECTROLUMINESCENT ELEMENT, AND LIGHT-EMITTING, DISPLAY AND ILLUMINATING DEVICES USING THE ELEMENTS | UDC IRELAND LIMITED (IE) | 2013-08-22 | — | — | US | disclosed |
| US-20130214259-A1 | ORGANIC ELECTROLUMINESCENT ELEMENT, COMPOUNDS AND MATERIALS USED FOR THE ORGANIC ELECTROLUMINESCENT ELEMENT, AND LIGHT-EMITTING, DISPLAY AND ILLUMINATING DEVICES USING THE ELEMENTS | UDC IRELAND LIMITED (IE) | 2013-08-22 | — | — | US | disclosed |