Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 6/20 | 0.78 |
| ▸ | LMNA | P02545 | 5/20 | 0.78 |
| ▸ | AR | P10275 | 5/20 | 0.78 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.78 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.78 |
| ▸ | ESR1 | P03372 | 4/20 | 0.78 |
| ▸ | SHBG | P04278 | 4/20 | 0.78 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.78 |
| ▸ | MEN1 | O00255 | 2/20 | 0.78 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.78 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.78 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.78 |
| ▸ | POLB | P06746 | 1/20 | 0.78 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.59 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.58 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.58 |
| ▸ | OPRM1 | P35372 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25863926 | 0.91 | PGR (0.79) | PGRLMNAARCYP3A4SLC6A4 | |
| SCHEMBL11868140 | 0.91 | PGR (0.79) | PGRLMNAARCYP3A4SLC6A4 | |
| SCHEMBL25863862 | 0.91 | PGR (0.79) | PGRLMNAARCYP3A4SLC6A4 | |
| SCHEMBL11858281 | 0.90 | PGR (0.78) | PGRLMNAARCYP3A4SLC6A4 | |
| SCHEMBL10930932 | 0.90 | PGR (0.78) | PGRLMNAARCYP3A4SLC6A4 | |
| SCHEMBL1843682 | 0.90 | PGR (0.78) | PGRLMNAARCYP3A4SLC6A4 | |
| Levonorgestrel SCHEMBL27597 | 0.88 | PGR (1.00) | PGRLMNAARCYP3A4SLC6A4 | |
| Levonorgestrel SCHEMBL20927506 | 0.88 | PGR (1.00) | PGRLMNAARCYP3A4SLC6A4 | |
| Norgestrel SCHEMBL4319113 | 0.88 | PGR (1.00) | PGRLMNAARCYP3A4SLC6A4 | |
| Levonorgestrel SCHEMBL22364344 | 0.88 | PGR (1.00) | PGRLMNAARCYP3A4SLC6A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4550100-A | Process for the preparation of 17α-bromoethynyl- and 17α-iodoethynyl-17β-hydroxy steroids and novel products thereof | SCHERING AKTIENGESELLSCHAFT (DE) | 1985-10-29 | — | — | US | disclosed |