Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 8/20 | 0.52 |
| ▸ | LMNA | P02545 | 5/20 | 0.52 |
| ▸ | ESR1 | P03372 | 5/20 | 0.52 |
| ▸ | NR3C1 | P04150 | 5/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.52 |
| ▸ | SHBG | P04278 | 4/20 | 0.52 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10944303 | 0.90 | NR3C1 (0.45) | PGRLMNAESR1NR3C1CYP3A4 | |
| SCHEMBL5150213 | 0.87 | PGR (0.54) | PGRLMNAESR1NR3C1CYP3A4 | |
| SCHEMBL10944309 | 0.86 | NR3C1 (0.66) | PGRLMNAESR1NR3C1CYP3A4 | |
| SCHEMBL7949842 | 0.84 | PGR (0.52) | PGRLMNAESR1NR3C1CYP3A4 | |
| SCHEMBL23805202 | 0.80 | PGR (0.72) | PGRLMNAESR1NR3C1CYP3A4 | |
| SCHEMBL6245967 | 0.80 | PGR (0.72) | PGRLMNAESR1NR3C1CYP3A4 | |
| SCHEMBL2835215 | 0.80 | PGR (0.72) | PGRLMNAESR1NR3C1CYP3A4 | |
| SCHEMBL6873042 | 0.80 | PGR (0.72) | PGRLMNAESR1NR3C1CYP3A4 | |
| SCHEMBL11424896 | 0.77 | PGR (0.70) | PGRLMNAESR1NR3C1CYP3A4 | |
| SCHEMBL7938356 | 0.77 | PGR (0.56) | PGRLMNAESR1NR3C1CYP3A4 |
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-4557867-A | CONTRACEPTIVES | THE UPJOHN COMPANY (US) | 1985-12-10 | — | — | US | claimed |
| US-4557867-A | CONTRACEPTIVES | THE UPJOHN COMPANY (US) | 1985-12-10 | — | — | US | disclosed |
| EP-0145493-A2 | 11-Difluoromethyl and 11-fluoromethylene steroids | THE UPJOHN COMPANY (US) | 1985-06-19 | — | — | EP | disclosed |