Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 9/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.53 |
| ▸ | SHBG | P04278 | 5/20 | 0.53 |
| ▸ | STS | P08842 | 4/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.53 |
| ▸ | LMNA | P02545 | 4/20 | 0.53 |
| ▸ | PGR | P06401 | 4/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.53 |
| ▸ | AR | P10275 | 4/20 | 0.53 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.53 |
| ▸ | SERPINA6 | P08185 | 3/20 | 0.53 |
| ▸ | SNCA | P37840 | 3/20 | 0.53 |
| ▸ | HTR2B | P41595 | 3/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.53 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.53 |
| ▸ | BLM | P54132 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL514373 | 1.00 | ESR1 (0.53) | ESR1ESR2SHBGSTSHSD17B10 | |
| SCHEMBL29500480 | 1.00 | ESR1 (0.53) | ESR1ESR2SHBGSTSHSD17B10 | |
| SCHEMBL8938727 | 0.95 | SHBG (0.50) | ESR1ESR2SHBGSTSHSD17B10 | |
| Benzoic Acid SCHEMBL9628348 | 0.89 | STS (0.47) | ESR1ESR2SHBGSTSHSD17B10 | |
| SCHEMBL9627672 | 0.85 | LMNA (0.55) | ESR1ESR2STSHSD17B10LMNA | |
| SCHEMBL8959365 | 0.83 | ESR1 (0.52) | ESR1ESR2SHBGSTSHSD17B10 | |
| SCHEMBL8959381 | 0.83 | ESR1 (0.52) | ESR1ESR2SHBGSTSHSD17B10 | |
| SCHEMBL9146993 | 0.83 | ESR1 (0.52) | ESR1ESR2SHBGSTSHSD17B10 | |
| SCHEMBL259537 | 0.83 | ESR1 (0.52) | ESR1ESR2SHBGSTSHSD17B10 | |
| SCHEMBL9725182 | 0.82 | ESR1 (0.48) | ESR1ESR2SHBGSTSHSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5529993-A | UROGENITAL DISORDERS; CONTRACEPTIVES | SCHERING AKTIENGESELLSCHAFT (DE) | 1996-06-25 | — | — | US | disclosed |
| EP-0430386-B1 | 14Alpha, 17alpha bridged 16-hydroxyestratrienes | SCHERING AG (DE) | 1995-05-03 | — | — | EP | disclosed |
| EP-0430386-A1 | 14Alpha, 17alpha bridged 16-hydroxyestratrienes | SCHERING AKTIENGESELLSCHAFT (DE) | 1991-06-05 | — | — | EP | disclosed |