Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 5/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.57 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.57 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | SHBG | P04278 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.57 |
| ▸ | ESR1 | P03372 | 1/20 | 0.57 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.57 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.57 |
| ▸ | AR | P10275 | 4/20 | 0.56 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.54 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL13474783 | 1.00 | PGR (0.57) | PGRCYP3A4ABCB11LMNACYP2C19 | |
| SCHEMBL13770151 | 0.87 | PGR (0.59) | PGRCYP3A4ABCB11LMNACYP2C19 | |
| SCHEMBL13770741 | 0.85 | PGR (0.57) | PGRCYP3A4ABCB11LMNACYP2C19 | |
| SCHEMBL13770457 | 0.85 | PDK1 (0.60) | PGRCYP3A4ABCB11LMNACYP2C19 | |
| SCHEMBL29416181 | 0.82 | PGR (0.63) | PGRCYP3A4ABCB11LMNACYP2C19 | |
| SCHEMBL13797501 | 0.81 | PGR (0.59) | PGRCYP3A4ABCB11LMNACYP2C19 | |
| SCHEMBL13770654 | 0.80 | PGR (0.61) | PGRCYP3A4ABCB11LMNACYP2C19 | |
| SCHEMBL24476256 | 0.78 | CYP3A4 (0.70) | PGRCYP3A4ABCB11LMNACYP2C19 | |
| Normethandrone SCHEMBL148631 | 0.77 | PGR (0.73) | PGRCYP3A4ABCB11LMNACYP2C19 | |
| Normethandrone SCHEMBL148632 | 0.77 | PGR (0.73) | PGRCYP3A4ABCB11LMNACYP2C19 |
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-2009083268-A2 | 17-(1'-PROPENYL)-17-3'-OXIDOESTRA-4-EN-3-ONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING SAID DERIVATIVE | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-07-09 | — | — | WO | disclosed |