Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 5/20 | 0.54 |
| ▸ | AR | P10275 | 4/20 | 0.54 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.54 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.54 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | SHBG | P04278 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL10821025 | 0.90 | CYP3A4 (0.66) | PGRARABCB11CYP3A4MAPT | |
| SCHEMBL10820961 | 0.80 | PGR (0.79) | PGRARABCB11CYP3A4MAPT | |
| SCHEMBL10820864 | 0.79 | PGR (0.58) | PGRARABCB11CYP3A4MAPT | |
| SCHEMBL10821091 | 0.79 | ABCB11 (0.63) | PGRARABCB11CYP3A4MAPT | |
| SCHEMBL10820946 | 0.77 | MAPT (0.62) | PGRARABCB11CYP3A4MAPT | |
| SCHEMBL10933842 | 0.76 | CYP3A4 (0.77) | PGRARABCB11CYP3A4MAPT | |
| SCHEMBL11866724 | 0.71 | LMNA (0.46) | PGRARABCB11CYP3A4MAPT | |
| SCHEMBL10821325 | 0.71 | PGR (0.58) | PGRARABCB11CYP3A4MAPT | |
| SCHEMBL24476264 | 0.71 | CYP3A4 (0.74) | PGRARABCB11CYP3A4MAPT | |
| SCHEMBL24476265 | 0.71 | CYP3A4 (0.74) | PGRARABCB11CYP3A4MAPT |
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-4567002-A | Process for the preparation of 17-haloethynyl steroids, and novel 17-haloethynyl steroids | SCHERING AKTIENGESELLSCHAFT (DE) | 1986-01-28 | — | — | US | disclosed |