Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 5/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.39 |
| ▸ | PGR | P06401 | 5/20 | 0.38 |
| ▸ | AR | P10275 | 5/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11871982 | 0.90 | CYP3A4 (0.49) | CYP19A1CYP3A4ALDH1A1CYP17A1PGR | |
| SCHEMBL11877143 | 0.82 | CYP17A1 (0.53) | CYP19A1CYP3A4ALDH1A1CYP17A1PGR | |
| SCHEMBL11874700 | 0.78 | CYP3A4 (0.64) | CYP19A1CYP3A4ALDH1A1CYP17A1PGR | |
| SCHEMBL11874693 | 0.78 | CYP3A4 (0.64) | CYP19A1CYP3A4ALDH1A1CYP17A1PGR | |
| SCHEMBL11877068 | 0.77 | CYP2C19 (0.37) | CYP19A1CYP3A4ALDH1A1CYP17A1PGR | |
| SCHEMBL11881941 | 0.76 | CYP3A4 (0.42) | CYP19A1CYP3A4ALDH1A1CYP17A1PGR | |
| SCHEMBL11881945 | 0.76 | CYP3A4 (0.42) | CYP19A1CYP3A4ALDH1A1CYP17A1PGR | |
| SCHEMBL11871612 | 0.75 | CYP3A4 (0.47) | CYP19A1CYP3A4ALDH1A1CYP17A1PGR | |
| SCHEMBL11880894 | 0.75 | CYP19A1 (0.58) | CYP19A1CYP3A4ALDH1A1CYP17A1PGR | |
| SCHEMBL11871617 | 0.75 | CYP3A4 (0.47) | CYP19A1CYP3A4ALDH1A1CYP17A1PGR |
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-3966713-A | 11β-FLUOROANDROSTENES | SCHERING AKTIENGESELLSCHAFT (DT) | 1976-06-29 | — | — | US | claimed |
| US-3966713-A | 11β-FLUOROANDROSTENES | SCHERING AKTIENGESELLSCHAFT (DT) | 1976-06-29 | — | — | US | disclosed |