Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 16/20 | 0.74 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | VDR | P11473 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | RXRA | P19793 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8999926 | 1.00 | CYP19A1 (0.74) | CYP19A1NR3C1SMN1; SMN2NR1I2ALDH1A1 | |
| SCHEMBL14284877 | 0.85 | CYP19A1 (1.00) | CYP19A1NR3C1 | |
| SCHEMBL11488618 | 0.80 | CYP19A1 (0.69) | CYP19A1NR3C1 | |
| SCHEMBL10625487 | 0.79 | CYP19A1 (0.67) | CYP19A1NR3C1 | |
| SCHEMBL10625100 | 0.79 | CYP19A1 (0.71) | CYP19A1NR3C1 | |
| SCHEMBL10625095 | 0.79 | CYP19A1 (0.71) | CYP19A1NR3C1 | |
| SCHEMBL9521283 | 0.78 | CYP19A1 (0.69) | CYP19A1NR3C1 | |
| SCHEMBL9521280 | 0.78 | CYP19A1 (0.69) | CYP19A1NR3C1 | |
| SCHEMBL20967676 | 0.78 | NR3C1 (0.55) | CYP19A1NR3C1SMN1; SMN2ALDH1A1PGR | |
| SCHEMBL17775786 | 0.77 | CYP19A1 (0.68) | CYP19A1NR3C1SMN1; SMN2ALDH1A1PGR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0515264-B1 | New steroid derivatives of pregna-4,9(11),17(20)-trien-3-on, their preparation, their use in the preparation of derivatives of pregna-4,9(11),16-trien-3,20-dione and intermediates therefor | ROUSSEL UCLAF (FR) | 1996-09-11 | — | — | EP | disclosed |
| EP-0515264-B1 | New steroid derivatives of pregna-4,9(11),17(20)-trien-3-on, their preparation, their use in the preparation of derivatives of pregna-4,9(11),16-trien-3,20-dione and intermediates therefor | ROUSSEL UCLAF (FR) | 1996-09-11 | — | — | EP | disclosed |
| US-5294704-A | 4,9(11),17(20)-pregnatriene-3-ones | ROUSSEL-UCLAF (FR) | 1994-03-15 | — | — | US | disclosed |
| EP-0515264-A3 | NEW STEROID DERIVATIVES OF PREGNA-4,9(11),17(20)-TRIEN-3-ON, THEIR PREPARATION, THEIR USE IN THE PREPARATION OF DERIVATIVES OF PREGNA-4,9(11),16-TRIEN-3,20-DIONE AND INTERMEDIATES THEREFOR | — | 1993-01-13 | — | — | EP | disclosed |
| EP-0515264-A2 | New steroid derivatives of pregna-4,9(11),17(20)-trien-3-on, their preparation, their use in the preparation of derivatives of pregna-4,9(11),16-trien-3,20-dione and intermediates therefor | ROUSSEL UCLAF (FR) | 1992-11-25 | — | — | EP | disclosed |
| EP-0515264-A2 | New steroid derivatives of pregna-4,9(11),17(20)-trien-3-on, their preparation, their use in the preparation of derivatives of pregna-4,9(11),16-trien-3,20-dione and intermediates therefor | ROUSSEL UCLAF (FR) | 1992-11-25 | — | — | EP | disclosed |