Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 9/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.34 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.34 |
| ▸ | STS | P08842 | 3/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL9580393 | 0.88 | ESR1 (0.35) | ESR1ESR2NR3C1NR3C2STS | |
| SCHEMBL10805903 | 0.86 | ESR1 (0.35) | ESR1ESR2NR3C1NR3C2STS | |
| SCHEMBL10641693 | 0.79 | ESR1 (0.36) | ESR1ESR2NR3C1NR3C2STS | |
| SCHEMBL10640037 | 0.77 | ESR1 (0.36) | ESR1ESR2NR3C1STSCYP19A1 | |
| SCHEMBL10639043 | 0.76 | ESR1 (0.35) | ESR1ESR2NR3C1NR3C2STS | |
| SCHEMBL10500672 | 0.75 | ESR1 (0.41) | ESR1ESR2NR3C1NR3C2CYP3A4 | |
| SCHEMBL10500883 | 0.73 | ESR1 (0.40) | ESR1ESR2NR3C1NR3C2STS | |
| SCHEMBL9418177 | 0.73 | HPGD (0.46) | ESR1ESR2CYP19A1LMNAMEN1 | |
| SCHEMBL14569854 | 0.72 | ESR1 (0.54) | ESR1ESR2NR3C1STSCYP3A4 | |
| SCHEMBL5356417 | 0.72 | ESR1 (0.54) | ESR1ESR2NR3C1STSCYP3A4 |
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-4760061-A | Antioestrogenic agent | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-07-26 | — | — | US | claimed |
| US-4760061-A | Antioestrogenic agent | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-07-26 | — | — | US | disclosed |