Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.46 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 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 | |
|---|---|---|---|---|
| SCHEMBL4301324 | 0.81 | ESR1 (0.58) | ESR1ESR2NR1H2NR1H3NR1I2 | |
| SCHEMBL439492 | 0.76 | ESR1 (0.48) | ESR1ESR2NR1H2NR1H3NR1I2 | |
| SCHEMBL5634372 | 0.76 | ERN1 (0.47) | ESR1ESR2CA1CA2TDP1 | |
| SCHEMBL4303759 | 0.75 | ESR1 (0.39) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL22888814 | 0.73 | ESR1 (0.74) | ESR1ESR2NR1H2NR1H3CA12 | |
| SCHEMBL22229670 | 0.72 | MEN1 (0.38) | ESR1ESR2GLAMAPTALDH1A1 | |
| SCHEMBL2453380 | 0.71 | TSHR (0.41) | ESR1ESR2NR1H2NR1H3CA1 | |
| SCHEMBL273322 | 0.71 | NR1H2 (0.59) | ESR1ESR2NR1H2NR1H3NR1I2 | |
| SCHEMBL28912 | 0.71 | ESR1 (0.50) | ESR1ESR2NR1H2NR1H3NR1I2 | |
| SCHEMBL271787 | 0.71 | ESR1 (0.50) | ESR1ESR2NR1H2NR1H3NR1I2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009027541-A2 | OXYGEN COMPOUNDS OF THE BORON GROUP | CHEMETALL GMBH (DE) | 2009-03-05 | — | — | WO | disclosed |