Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.32 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.31 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.31 |
| ▸ | CACNG2 | Q9Y698 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19757548 | 0.97 | ESR1 (0.37) | ESR1ESR2HDAC1HDAC8HDAC6 | |
| SCHEMBL19757547 | 0.95 | ESR1 (0.40) | ESR1ESR2HDAC1HDAC8HDAC6 | |
| SCHEMBL19757550 | 0.89 | HDAC1 (0.34) | ESR1ESR2HDAC1HDAC8HDAC6 | |
| SCHEMBL19757549 | 0.89 | HDAC1 (0.32) | ESR1ESR2HDAC1HDAC8HDAC6 | |
| SCHEMBL16521597 | 0.74 | ESR1 (0.64) | ESR1ESR2HDAC1HDAC8HDAC6 | |
| SCHEMBL16521681 | 0.74 | NR1H2 (0.34) | ALDH1A1NR1H2NR1H3 | |
| SCHEMBL16521779 | 0.73 | POLB (0.36) | ALDH1A1HPGDNR1H2NR1H3POLB | |
| SCHEMBL22416323 | 0.72 | ESR1 (0.43) | ESR1ESR2HDAC1HDAC8HDAC6 | |
| SCHEMBL16521568 | 0.72 | ESR1 (0.47) | ESR1ESR2HDAC1HDAC8HDAC6 | |
| SCHEMBL16521640 | 0.72 | NR1H2 (0.32) | NR1H2NR1H3 |
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 |
|---|---|---|---|---|---|---|---|
| US-9859505-B2 | Charge-transporting molecular glass mixtures, luminescent molecular glass mixtures, or combinations thereof or organic light emitting diodes and other organic electronics and photonics applications | MOLECULAR GLASSES, INC. (US) | 2018-01-02 | — | — | US | disclosed |