Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 8/20 | 0.37 |
| ▸ | STS | P08842 | 3/20 | 0.36 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.36 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8654560 | 0.87 | STS (0.38) | CYP19A1STSABCC4CYP2C9ABCC1 | |
| SCHEMBL8407415 | 0.86 | — | — | |
| SCHEMBL8407425 | 0.82 | POLB (0.33) | CYP19A1MAPTPOLB | |
| SCHEMBL8948940 | 0.80 | AKR1C3 (0.38) | CYP19A1STSABCC4CYP2C9ABCC1 | |
| SCHEMBL8409402 | 0.79 | CYP1B1 (0.42) | CYP19A1MAPTPOLB | |
| SCHEMBL9174030 | 0.78 | MAPT (0.42) | CYP19A1STSABCC4CYP2C9ABCC1 | |
| SCHEMBL9174063 | 0.74 | MAPT (0.39) | CYP19A1STSABCC4CYP2C9ABCC1 | |
| SCHEMBL8768139 | 0.74 | MAPT (0.39) | CYP19A1STSABCC4CYP2C9ABCC1 | |
| SCHEMBL8651638 | 0.74 | MAPT (0.39) | CYP19A1STSABCC4CYP2C9ABCC1 | |
| SCHEMBL8407453 | 0.73 | PGR (0.34) | STSCYP3A4POLBESR1LMNA |
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-0565553-B1 | 6,7-MODIFIED 11$g(b)-ARYL-4-ESTRENES | SCHERING AG (DE) | 1999-07-21 | — | — | EP | disclosed |
| US-5843931-A | 6,7-modified 11β-aryl-4-oestrenes | SHERING AKTIENGESELLSCHAFT (DE) | 1998-12-01 | — | — | US | disclosed |