Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.58 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.58 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.47 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 7/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NQO2 | P16083 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12972972 | 0.96 | ESR1 (0.54) | ESR1ESR2NR1H2NR1H3HPGD | |
| SCHEMBL17010951 | 0.93 | ESR1 (0.56) | ESR1ESR2NR1H2NR1H3HPGD | |
| SCHEMBL26581493 | 0.88 | CYP2A6 (0.48) | ESR1ESR2HPGDCYP2A6TDP1 | |
| SCHEMBL12191039 | 0.84 | ESR1 (0.75) | ESR1ESR2NR1H2NR1H3HPGD | |
| SCHEMBL15490541 | 0.82 | ESR1 (0.42) | ESR1ESR2NR1H2NR1H3HPGD | |
| SCHEMBL12191040 | 0.82 | ESR1 (0.58) | ESR1ESR2NR1H2NR1H3HPGD | |
| SCHEMBL63526 | 0.82 | ESR1 (0.70) | ESR1ESR2NR1H2NR1H3HPGD | |
| SCHEMBL27473457 | 0.79 | ESR1 (0.67) | ESR1ESR2NR1H2NR1H3HPGD | |
| Water SCHEMBL28099446 | 0.79 | ESR1 (0.67) | ESR1ESR2NR1H2NR1H3HPGD | |
| SCHEMBL15490556 | 0.78 | ESR1 (0.46) | ESR1ESR2HPGDTDP1CYP1A2 |
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-9112157-B2 | Hole transport materials including OLED applications | SOLVAY USA, INC. (US) | 2015-08-18 | — | — | US | disclosed |
| US-9112157-B2 | Hole transport materials including OLED applications | SOLVAY USA, INC. (US) | 2015-08-18 | — | — | US | disclosed |