Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.64 |
| ▸ | NR1I2 | O75469 | 3/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.64 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.64 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.64 |
| ▸ | ACHE | P22303 | 2/20 | 0.64 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.64 |
| ▸ | USP2 | O75604 | 1/20 | 0.64 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.64 |
| ▸ | TP53 | P04637 | 1/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | FYN | P06241 | 1/20 | 0.64 |
| ▸ | PGR | P06401 | 1/20 | 0.64 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.64 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL8993926 | 1.00 | ESR1 (0.64) | ESR1ALDH1A1NR1I2SMN1; SMN2ESR2 | |
| SCHEMBL10324970 | 0.91 | ESR1 (0.82) | ESR1ALDH1A1NR1I2SMN1; SMN2ESR2 | |
| SCHEMBL20039350 | 0.85 | ESR1 (0.54) | ESR1ALDH1A1NR1I2SMN1; SMN2ESR2 | |
| SCHEMBL2569296 | 0.79 | ALDH1A1 (0.48) | ESR1ALDH1A1NR1I2SMN1; SMN2ESR2 | |
| SCHEMBL18133513 | 0.79 | ESR1 (0.63) | ESR1ALDH1A1NR1I2SMN1; SMN2ESR2 | |
| Diethylstilbestrol SCHEMBL9223 | 0.78 | ESR1 (1.00) | ESR1ALDH1A1NR1I2SMN1; SMN2ESR2 | |
| Diethylstilbestrol SCHEMBL27372002 | 0.78 | ESR1 (1.00) | ESR1ALDH1A1NR1I2SMN1; SMN2ESR2 | |
| Diethylstilbestrol SCHEMBL9224 | 0.78 | ESR1 (1.00) | ESR1ALDH1A1NR1I2SMN1; SMN2ESR2 | |
| Diethylstilbestrol SCHEMBL6542190 | 0.78 | ESR1 (1.00) | ESR1ALDH1A1NR1I2SMN1; SMN2ESR2 | |
| SCHEMBL3989195 | 0.78 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2KMT2ALMNAACHE |
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-0636115-B1 | NOVEL BIS-PHENYL-HEXENES | METZLER MANFRED (DE) | 1996-08-14 | — | — | EP | disclosed |