Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.60 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.43 |
| ▸ | NR3C1 | P04150 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 4/20 | 0.40 |
| ▸ | PGR | P06401 | 3/20 | 0.40 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.38 |
| ▸ | LMNA | P02545 | 5/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.37 |
| ▸ | SHBG | P04278 | 2/20 | 0.37 |
| ▸ | SERPINA6 | P08185 | 2/20 | 0.37 |
| ▸ | BLM | P54132 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9739294 | 1.00 | ALDH1A1 (0.60) | ALDH1A1MAPK1CYP17A1NR3C1KDM4E | |
| SCHEMBL9737156 | 0.88 | LMNA (0.52) | ALDH1A1MAPK1CYP17A1NR3C1AR | |
| SCHEMBL9737165 | 0.88 | LMNA (0.52) | ALDH1A1MAPK1CYP17A1NR3C1AR | |
| SCHEMBL9738807 | 0.83 | ALDH1A1 (0.51) | ALDH1A1MAPK1CYP17A1NR3C1KDM4E | |
| SCHEMBL9717210 | 0.82 | KDM4E (0.60) | ALDH1A1MAPK1NR3C1KDM4EAR | |
| SCHEMBL9717206 | 0.82 | KDM4E (0.60) | ALDH1A1MAPK1NR3C1KDM4EAR | |
| SCHEMBL9656247 | 0.82 | NR3C1 (0.61) | ALDH1A1MAPK1CYP17A1NR3C1AR | |
| SCHEMBL9656240 | 0.82 | NR3C1 (0.61) | ALDH1A1MAPK1CYP17A1NR3C1AR | |
| SCHEMBL9644884 | 0.81 | CYP17A1 (0.47) | ALDH1A1MAPK1CYP17A1NR3C1AR | |
| SCHEMBL9736760 | 0.76 | ALDH1A1 (0.57) | ALDH1A1MAPK1CYP17A1NR3C1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0278319-B1 | 9,11-EPOXY-21-HYDROXYPREGNANE DERIVATIVES | THE UPJOHN COMPANY (US) | 1992-10-07 | — | — | EP | claimed |