Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C1 | P04150 | 3/20 | 0.41 |
| ▸ | AR | P10275 | 2/20 | 0.41 |
| ▸ | PGR | P06401 | 2/20 | 0.41 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 14/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10582213 | 1.00 | NR3C1 (0.41) | NR3C1ARPGRNR3C2CYP19A1 | |
| SCHEMBL9623805 | 0.83 | NR3C1 (0.60) | NR3C1ARPGRNR3C2CYP19A1 | |
| SCHEMBL8940232 | 0.83 | NR3C1 (0.60) | NR3C1ARPGRNR3C2CYP19A1 | |
| SCHEMBL9623872 | 0.81 | NR3C1 (0.45) | NR3C1ARPGRNR3C2CYP19A1 | |
| SCHEMBL9470387 | 0.81 | ESR1 (0.46) | NR3C1ARPGRNR3C2CYP19A1 | |
| SCHEMBL8939564 | 0.75 | NR3C1 (0.40) | NR3C1ARPGRNR3C2CYP19A1 | |
| SCHEMBL9623669 | 0.75 | NFKB1 (0.56) | NR3C1ARPGRNR3C2CYP19A1 | |
| SCHEMBL10724042 | 0.74 | NR3C1 (0.38) | NR3C1ARPGRNR3C2CYP19A1 | |
| SCHEMBL11639279 | 0.73 | CYP19A1 (0.43) | NR3C1CYP19A1 | |
| SCHEMBL10413728 | 0.72 | NR3C1 (0.58) | NR3C1ARPGRNR3C2CYP19A1 |
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-0153001-B1 | STEROIDS HAVING AN ENAMIDE OR ENIMIDE GROUP AND THEIR PREPARATION | THE UPJOHN COMPANY (US) | 1992-03-11 | — | — | EP | disclosed |
| US-4831131-A | 11β,17α-Dihydroxy-17β-cyano-androstanes | THE UPJOHN COMPANY (US) | 1989-05-16 | — | — | US | disclosed |
| US-4585590-A | Cyanohydrin process | THE UPJOHN COMPANY (US) | 1986-04-29 | — | — | US | disclosed |
| US-4548748-A | Cyanohydrin process | THE UPJOHN COMPANY (US) | 1985-10-22 | — | — | US | disclosed |
| EP-0153001-A2 | Steroids having an enamide or enimide group and their preparation | THE UPJOHN COMPANY (US) | 1985-08-28 | — | — | EP | disclosed |
| US-4500461-A | Cyanohydrin process | THE UPJOHN COMPANY (US) | 1985-02-19 | — | — | US | disclosed |