Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.60 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.60 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.60 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.60 |
| ▸ | ACHE | P22303 | 1/20 | 0.60 |
| ▸ | PGR | P06401 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | AR | P10275 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL11855239 | 0.91 | ESR1 (0.55) | ESR1SLC6A4CHRM2SLC6A2CYP2C19 | |
| SCHEMBL11493890 | 0.85 | ESR1 (0.57) | ESR1SLC6A4CHRM2SLC6A2CYP2C19 | |
| SCHEMBL11494073 | 0.84 | ESR1 (0.55) | ESR1SLC6A4CHRM2SLC6A2CYP2C19 | |
| SCHEMBL11277156 | 0.84 | ESR1 (0.55) | ESR1SLC6A4CHRM2SLC6A2CYP2C19 | |
| SCHEMBL4106472 | 0.82 | SLC6A4 (0.54) | ESR1SLC6A4CHRM2SLC6A2CYP2C19 | |
| SCHEMBL13481323 | 0.82 | ESR1 (0.45) | ESR1SLC6A4CHRM2SLC6A2CYP2C19 | |
| SCHEMBL8410376 | 0.82 | ESR1 (0.45) | ESR1SLC6A4CHRM2SLC6A2CYP2C19 | |
| SCHEMBL22192107 | 0.81 | ESR1 (0.64) | ESR1SLC6A4CHRM2SLC6A2CYP2C19 | |
| SCHEMBL9199648 | 0.81 | ESR1 (0.64) | ESR1SLC6A4CHRM2SLC6A2CYP2C19 | |
| SCHEMBL12446091 | 0.80 | SHBG (0.69) | ESR1SLC6A4CYP2C19PGRLMNA |
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-3959322-A | Synthesis of 13-alkyl-gon-4-ones | Smith, Herchel (US) | 1976-05-25 | — | — | US | disclosed |