Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 16/20 | 0.56 |
| ▸ | ESR2 | Q92731 | 11/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 10/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.51 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.51 |
| ▸ | ESRRB | O95718 | 3/20 | 0.49 |
| ▸ | ESRRG | P62508 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | PLD2 | O14939 | 1/20 | 0.49 |
| ▸ | PGR | P06401 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4409444 | 0.83 | ESR1 (0.74) | ESR1ESR2CYP3A4CYP1A2ESRRB | |
| SCHEMBL4408304 | 0.83 | ESR1 (0.74) | ESR1ESR2CYP3A4CYP1A2ESRRB | |
| SCHEMBL18291054 | 0.69 | ESR1 (0.82) | ESR1ESR2CYP19A1CYP3A4CYP1A2 | |
| SCHEMBL16233656 | 0.69 | CYP19A1 (0.82) | ESR1ESR2CYP19A1CYP3A4CYP1A2 | |
| SCHEMBL31167386 | 0.69 | CYP19A1 (1.00) | ESR1ESR2CYP19A1CYP3A4CYP1A2 | |
| SCHEMBL8911681 | 0.68 | DRD4 (0.69) | ESR1ESR2CYP19A1CYP1A2ALDH1A1 | |
| SCHEMBL3847946 | 0.68 | TSHR (0.43) | ESR1CYP3A4KDM4EMEN1ALDH1A1 | |
| SCHEMBL15101927 | 0.68 | LTA4H (0.63) | ESR1ESR2CYP19A1CYP3A4CYP1A2 | |
| SCHEMBL18840065 | 0.68 | CYP19A1 (0.78) | ESR1ESR2CYP19A1CYP3A4CYP1A2 | |
| SCHEMBL18766687 | 0.68 | CYP19A1 (0.78) | ESR1ESR2CYP19A1CYP3A4CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1397382-B1 | NOVEL ESTROGEN RECEPTOR LIGAND BINDING DOMAIN VARIANTS AND NOVEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS | NOVARTIS AG (CH) | 2008-08-06 | — | — | EP | disclosed |