Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 5/20 | 0.65 |
| ▸ | NR3C1 | P04150 | 13/20 | 0.58 |
| ▸ | PGR | P06401 | 7/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | THPO | P40225 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.53 |
| ▸ | GMNN | O75496 | 1/20 | 0.53 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL2608161 | 0.91 | AR (0.78) | ARNR3C1PGRCYP3A4CYP2D6 | |
| SCHEMBL2120217 | 0.91 | AR (0.78) | ARNR3C1PGRCYP3A4CYP2D6 | |
| SCHEMBL2120219 | 0.91 | AR (0.78) | ARNR3C1PGRCYP3A4CYP2D6 | |
| SCHEMBL19664233 | 0.91 | AR (0.78) | ARNR3C1PGRCYP3A4CYP2D6 | |
| SCHEMBL19265569 | 0.90 | AR (0.62) | ARNR3C1PGRCYP3A4CYP2D6 | |
| SCHEMBL19265447 | 0.88 | NR3C1 (0.69) | ARNR3C1PGRCYP3A4CYP2D6 | |
| SCHEMBL19674397 | 0.87 | AR (0.65) | ARNR3C1PGRCYP3A4CYP2D6 | |
| SCHEMBL19265440 | 0.86 | AR (0.64) | ARNR3C1PGRCYP3A4CYP2D6 | |
| SCHEMBL19674383 | 0.86 | AR (0.63) | ARNR3C1PGRCYP3A4CYP2D6 | |
| SCHEMBL12950510 | 0.85 | AR (0.63) | ARNR3C1PGRCYP3A4CYP2D6 |
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-3272763-A1 | 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ARYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES | Bayer Intellectual Property GmbH (DE) | 2018-01-24 | — | — | EP | disclosed |
| EP-3252069-A1 | (11.BETA.,17.BETA.)-17-HYDROXY-11-[4-(METHYLSULFONYL)PHENYL]-17-(PENTALFUOROMETHYL)ESTRA-4,9-DIEN-3-ONE FOR USE IN THE TREATMENT OF DISEASES | Bayer Pharma Aktiengesellschaft (DE) | 2017-12-06 | — | — | EP | disclosed |