Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.64 |
| ▸ | SHBG | P04278 | 2/20 | 0.64 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.64 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.64 |
| ▸ | SERPINA6 | P08185 | 1/20 | 0.64 |
| ▸ | THRB | P10828 | 1/20 | 0.64 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.61 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.61 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.61 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.57 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.57 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.57 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.57 |
| ▸ | ACHE | P22303 | 1/20 | 0.57 |
| ▸ | PGR | P06401 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | MAOA | P21397 | 1/20 | 0.56 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL22192107 | 1.00 | ESR1 (0.64) | ESR1ALDH1A1SHBGESR2SLC22A1 | |
| SCHEMBL11511651 | 0.82 | ESR1 (0.58) | ESR1ALDH1A1SHBGESR2SLC22A1 | |
| SCHEMBL3750368 | 0.81 | ALDH1A1 (0.53) | ESR1ALDH1A1SHBGESR2SLC22A1 | |
| SCHEMBL27804186 | 0.81 | ALDH1A1 (0.53) | ESR1ALDH1A1SHBGESR2SLC22A1 | |
| SCHEMBL11771163 | 0.81 | ALDH1A1 (0.58) | ESR1ALDH1A1SHBGESR2SLC22A1 | |
| SCHEMBL3739481 | 0.81 | ALDH1A1 (0.58) | ESR1ALDH1A1SHBGESR2SLC22A1 | |
| SCHEMBL9197781 | 0.81 | ESR1 (0.60) | ESR1ALDH1A1SHBGESR2SLC22A1 | |
| SCHEMBL6448963 | 0.80 | SHBG (0.65) | ESR1ALDH1A1SHBGESR2SLC22A1 | |
| SCHEMBL21807739 | 0.80 | SHBG (0.65) | ESR1ALDH1A1SHBGESR2SLC22A1 | |
| SCHEMBL6573913 | 0.80 | SHBG (0.65) | ESR1ALDH1A1SHBGESR2SLC22A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0440752-B1 | METHOD FOR THE PREPARATION OF 3-DESOXY-4-ENE STEROIDS | SCHERING AG (DE) | 1995-03-08 | — | — | EP | disclosed |
| US-5140106-A | PROCESS FOR THE PRODUCTION OF 3-DEOXY-4-ENE STEROIDS | SCHERING AKTIENGESELLSCHAFT (DE) | 1992-08-18 | — | — | US | disclosed |
| WO-1990011290-A1 | METHOD FOR THE PREPARATION OF 3-DESOXY-4-ENE STEROIDS | SCHERING AKTIENGESELLSCHAFT (DE) | 1990-10-04 | — | — | WO | disclosed |
| US-3983144-A | Novel 11β-alkyl steroids of the estrane series | AKZONA INCORPORATED (US) | 1976-09-28 | — | — | US | disclosed |