Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | TYMS | P04818 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.33 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.33 |
| ▸ | CACNG2 | Q9Y698 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22416323 | 0.96 | ESR1 (0.43) | POLBESR1ESR2TYMSGAA | |
| SCHEMBL22416325 | 0.92 | POLB (0.36) | POLBESR1ESR2TYMSGAA | |
| SCHEMBL21524842 | 0.88 | POLB (0.32) | POLBESR1ESR2 | |
| SCHEMBL21524805 | 0.88 | ESR1 (0.38) | POLBESR1ESR2TYMSGAA | |
| SCHEMBL21524841 | 0.88 | ESR1 (0.36) | POLBESR1ESR2TYMSGAA | |
| SCHEMBL22416321 | 0.85 | PDE6D (0.35) | POLBESR1ESR2GAAMEN1 | |
| SCHEMBL21524811 | 0.81 | PDE6D (0.34) | — | |
| SCHEMBL22416194 | 0.80 | PDE6D (0.38) | ESR1ESR2ALDH1A1KDM4EHPGD | |
| SCHEMBL22416195 | 0.80 | PDE6D (0.31) | — | |
| SCHEMBL21524848 | 0.79 | HSP90AA1 (0.33) | POLBESR1ESR2TYMSGAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3083881-B1 | MOLECULAR GLASS MIXTURES FOR ORGANIC ELECTRONICS APPLICATIONS | MOLECULAR GLASSES INC (US) | 2020-09-09 | — | — | EP | disclosed |
| US-10461269-B2 | Crosslinkable, /polymerizable and combinations thereof charge-transporting molecular glass mixtures, luminescent molecular glass mixtures, or combinations thereof for organic light emitting diodes and other organic electronics and photonics applications and method of making same | MOLECULAR GLASSES, INC. (US) | 2019-10-29 | — | — | US | disclosed |