Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 7/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.38 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.38 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SHBG | P04278 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.33 |
| ▸ | CYP21A2 | P08686 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8536672 | 0.92 | PDK1 (0.38) | PGRPDK1PDK2PDK3PDK4 | |
| SCHEMBL8537628 | 0.86 | PDK1 (0.40) | PGRPDK1PDK2PDK3PDK4 | |
| SCHEMBL8541984 | 0.85 | PDK1 (0.37) | PGRPDK1PDK2PDK3PDK4 | |
| SCHEMBL8536985 | 0.85 | PDK1 (0.37) | PGRPDK1PDK2PDK3PDK4 | |
| SCHEMBL8541599 | 0.85 | PDK1 (0.37) | PGRPDK1PDK2PDK3PDK4 | |
| SCHEMBL8536109 | 0.84 | NR3C1 (0.40) | PGRPDK1PDK2PDK3PDK4 | |
| SCHEMBL8542556 | 0.84 | NR3C1 (0.40) | PGRPDK1PDK2PDK3PDK4 | |
| SCHEMBL8541378 | 0.83 | PDK1 (0.39) | PGRPDK1PDK2PDK3PDK4 | |
| SCHEMBL8536189 | 0.81 | ESR1 (0.33) | PGRPDK1PDK2PDK3PDK4 | |
| SCHEMBL8538113 | 0.79 | PGR (0.47) | PGRLMNACYP3A4NR3C1TSHR |
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-5843933-A | 11β-aryl-4-estrenes, process for their production as well as their use as pharmaceutical agents | SCHERING AKTIENGESELLSCHAFT (DE) | 1998-12-01 | — | — | US | disclosed |
| US-5728689-A | ANTIGESTAGENIC EFFECT | SCHERING AKTIENGESELLSCHAFT (DE) | 1998-03-17 | — | — | US | disclosed |