Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 1.00 |
| ▸ | LMNA | P02545 | 5/20 | 1.00 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 1.00 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 1.00 |
| ▸ | ATM | Q13315 | 2/20 | 1.00 |
| ▸ | NR3C1 | P04150 | 2/20 | 1.00 |
| ▸ | SHBG | P04278 | 2/20 | 1.00 |
| ▸ | SLC6A4 | P31645 | 2/20 | 1.00 |
| ▸ | HTR2B | P41595 | 2/20 | 1.00 |
| ▸ | KMT2A | Q03164 | 2/20 | 1.00 |
| ▸ | FYN | P06241 | 1/20 | 1.00 |
| ▸ | ADRA2C | P18825 | 1/20 | 1.00 |
| ▸ | SLC6A2 | P23975 | 1/20 | 1.00 |
| ▸ | HTT | P42858 | 1/20 | 1.00 |
| ▸ | PGR | P06401 | 2/20 | 0.77 |
| ▸ | AR | P10275 | 2/20 | 0.77 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.77 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.77 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.77 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.77 |
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 | |
|---|---|---|---|---|
| Estradiol Benzoate SCHEMBL22049057 | 1.00 | ESR1 (1.00) | ESR1LMNASMN1; SMN2ADORA3ATM | |
| Estradiol Benzoate SCHEMBL29486378 | 1.00 | ESR1 (1.00) | ESR1LMNASMN1; SMN2ADORA3ATM | |
| Estradiol Benzoate SCHEMBL18467889 | 1.00 | ESR1 (1.00) | ESR1LMNASMN1; SMN2ADORA3ATM | |
| Estradiol Benzoate SCHEMBL14360474 | 1.00 | ESR1 (1.00) | ESR1LMNASMN1; SMN2ADORA3ATM | |
| Estradiol Benzoate SCHEMBL12187133 | 1.00 | ESR1 (1.00) | ESR1LMNASMN1; SMN2ADORA3ATM | |
| Estradiol Benzoate SCHEMBL174896 | 1.00 | ESR1 (1.00) | ESR1LMNASMN1; SMN2ADORA3ATM | |
| Estradiol Benzoate SCHEMBL12180364 | 1.00 | ESR1 (1.00) | ESR1LMNASMN1; SMN2ADORA3ATM | |
| Estradiol Benzoate SCHEMBL301616 | 1.00 | ESR1 (1.00) | ESR1LMNASMN1; SMN2ADORA3ATM | |
| Estradiol Benzoate SCHEMBL20770923 | 0.99 | ESR1 (0.98) | ESR1LMNASMN1; SMN2ADORA3ATM | |
| Estradiol Benzoate SCHEMBL5885955 | 0.96 | ESR1 (0.93) | ESR1LMNASMN1; SMN2ADORA3ATM |
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-0300749-B1 | Injectable formulation containing 3-benzoyloxy-1,3,5(10)-estratriene-17-[4-[p-(bis(2-chloroethyl)amino)phenyl]-butanoyloxy]acetate | KUREHA CHEMICAL IND CO LTD (JP) | 1994-01-26 | — | — | EP | claimed |