Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.37 |
| ▸ | ESR1 | P03372 | 3/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | NQO2 | P16083 | 1/20 | 0.32 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.32 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14489029 | 0.73 | SHBG (0.51) | SHBGCYP2D6TSHRSLC6A2SLC6A4 | |
| SCHEMBL806084 | 0.65 | CYP19A1 (0.49) | CYP19A1ESR1ESR2LMNA | |
| SCHEMBL16182360 | 0.64 | ESR1 (0.50) | SHBGCYP19A1ESR1ESR2CYP2D6 | |
| SCHEMBL28910133 | 0.61 | CYP19A1 (0.48) | CYP19A1ESR1ESR2CHRNB2CHRNA4 | |
| SCHEMBL773605 | 0.61 | ESR1 (0.73) | CYP19A1ESR1ESR2LMNA | |
| SCHEMBL22304219 | 0.61 | SHBG (0.45) | SHBGCYP2D6TSHRSLC6A2SLC6A4 | |
| SCHEMBL18630107 | 0.61 | CYP3A4 (0.43) | SHBGESR1ESR2CYP2D6TSHR | |
| SCHEMBL3649497 | 0.60 | SHBG (0.71) | SHBGESR1ESR2CYP2D6TSHR | |
| SCHEMBL13875399 | 0.60 | SHBG (0.71) | SHBGESR1ESR2CYP2D6TSHR | |
| SCHEMBL6649153 | 0.59 | AR (0.44) | SHBGCYP19A1ESR1ESR2CYP2D6 |
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-2012037261-A2 | 6-SUBSTITUTED DEMETHYL-ESTRADIOL DERIVATIVES AS ER-BETA AGONISTS | ENDECE, LLC (US) | 2012-03-22 | — | — | WO | disclosed |