Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 5/20 | 0.48 |
| ▸ | SHBG | P04278 | 3/20 | 0.43 |
| ▸ | SERPINA6 | P08185 | 2/20 | 0.43 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 6/20 | 0.42 |
| ▸ | AR | P10275 | 5/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.42 |
| ▸ | ESR1 | P03372 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16418975 | 1.00 | CYP19A1 (0.48) | CYP19A1SHBGSERPINA6SLC22A1ALDH1A1 | |
| SCHEMBL15277659 | 1.00 | CYP19A1 (0.48) | CYP19A1SHBGSERPINA6SLC22A1ALDH1A1 | |
| SCHEMBL16414375 | 1.00 | CYP19A1 (0.48) | CYP19A1SHBGSERPINA6SLC22A1ALDH1A1 | |
| SCHEMBL1422228 | 1.00 | CYP19A1 (0.48) | CYP19A1SHBGSERPINA6SLC22A1ALDH1A1 | |
| SCHEMBL3174499 | 1.00 | CYP19A1 (0.48) | CYP19A1SHBGSERPINA6SLC22A1ALDH1A1 | |
| SCHEMBL3174503 | 1.00 | CYP19A1 (0.48) | CYP19A1SHBGSERPINA6SLC22A1ALDH1A1 | |
| SCHEMBL18029994 | 0.90 | PGR (0.43) | CYP19A1SHBGSERPINA6SLC22A1ALDH1A1 | |
| SCHEMBL11044681 | 0.86 | CYP19A1 (0.48) | CYP19A1SHBGSERPINA6SLC22A1ALDH1A1 | |
| SCHEMBL10598316 | 0.84 | CYP19A1 (0.46) | CYP19A1SHBGSERPINA6SLC22A1ALDH1A1 | |
| SCHEMBL10596137 | 0.84 | CYP19A1 (0.46) | CYP19A1SHBGSERPINA6SLC22A1ALDH1A1 |
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-3865501-A1 | NEW INTERMEDIATES FOR THE PREPARATION OF 11-METHYLENE STEROIDS | Crystal Pharma, S.A.U. (ES) | 2021-08-18 | — | — | EP | disclosed |
| EP-3423464-B1 | PROCESS AND NEW INTERMEDIATES FOR THE PREPARATION OF 11-METHYLENE STEROIDS | CRYSTAL PHARMA SAU (ES) | 2021-05-26 | — | — | EP | disclosed |