Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.37 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.34 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.34 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.34 |
| ▸ | PGR | P06401 | 3/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 6/20 | 0.33 |
| ▸ | CYP21A2 | P08686 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 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 | |
|---|---|---|---|---|
| SCHEMBL9019871 | 0.84 | CYP1B1 (0.47) | CYP1B1PGRCYP17A1CYP21A2 | |
| SCHEMBL20048225 | 0.84 | ESR1 (0.37) | CYP1B1PDK1PDK2PDK3PDK4 | |
| SCHEMBL21143415 | 0.84 | ESR1 (0.37) | CYP1B1PDK1PDK2PDK3PDK4 | |
| SCHEMBL9019868 | 0.83 | PDK1 (0.36) | CYP1B1CYP1A1PDK1PDK2PDK3 | |
| SCHEMBL10449008 | 0.83 | PDK1 (0.52) | CYP1B1CYP1A1PDK1PDK2PDK3 | |
| SCHEMBL9019762 | 0.82 | PGR (0.41) | CYP1B1PDK1PDK2PDK3PDK4 | |
| SCHEMBL8539498 | 0.82 | PDK1 (0.37) | CYP1B1PDK1PDK2PDK3PDK4 | |
| SCHEMBL22861582 | 0.82 | PGR (0.41) | CYP1B1PDK1PDK2PDK3PDK4 | |
| SCHEMBL8540722 | 0.82 | ALDH1A1 (0.49) | CYP1B1PGR | |
| SCHEMBL9019805 | 0.81 | PGR (0.35) | CYP1B1PGRCYP17A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0404283-B1 | 11-Beta-aryl-4-estrene, method for its production and its use as a medicine | SCHERING AG (DE) | 1996-05-08 | — | — | EP | disclosed |
| EP-0404283-A2 | 11-Beta-aryl-4-estrene, method for its production and its use as a medicine | SCHERING AKTIENGESELLSCHAFT (DE) | 1990-12-27 | — | — | EP | disclosed |