Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | PLAU | P00749 | 2/20 | 0.40 |
| ▸ | PLAT | P00750 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ERN1 | O75460 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.38 |
| ▸ | RELA | Q04206 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18806057 | 0.89 | THRB (0.45) | THRBBACE1ESR1ESR2PLAU | |
| SCHEMBL22353015 | 0.87 | CYP1A2 (0.51) | THRBBACE1ESR1ESR2PLAU | |
| SCHEMBL22173894 | 0.87 | KDM4E (0.46) | THRBBACE1ESR1ESR2PLAU | |
| SCHEMBL21589322 | 0.83 | BACE1 (0.43) | BACE1ESR1ESR2PLAUPLAT | |
| SCHEMBL21101843 | 0.81 | THRB (0.45) | THRBBACE1ESR1ESR2PLAU | |
| SCHEMBL18411564 | 0.81 | ELANE (0.42) | THRBBACE1ESR1ESR2PLAU | |
| SCHEMBL25811879 | 0.81 | MGAM (0.48) | THRBBACE1KDM4EALDH1A1MAPT | |
| SCHEMBL18308845 | 0.81 | BACE1 (0.42) | THRBBACE1ESR1ESR2PLAU | |
| SCHEMBL21101678 | 0.80 | THRB (0.44) | THRBBACE1PLAUPLATKDM4E | |
| SCHEMBL17625741 | 0.80 | THRB (0.44) | THRBBACE1PLAUPLATKDM4E |
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-2019233978-A1 | ADDITIVES FOR LIQUID-CRYSTAL MIXTURES | MERCK PATENT GMBH (DE) | 2019-12-12 | — | — | WO | disclosed |