Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 4/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.63 |
| ▸ | PGR | P06401 | 4/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.63 |
| ▸ | AR | P10275 | 3/20 | 0.63 |
| ▸ | MAPT | P10636 | 2/20 | 0.63 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.63 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.63 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.63 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.63 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.63 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.63 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.63 |
| ▸ | MEN1 | O00255 | 1/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.63 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | SHBG | P04278 | 2/20 | 0.54 |
| ▸ | ESR1 | P03372 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL11046114 | 0.89 | CYP3A4 (0.79) | ABCB11CYP3A4PGRCYP2C19AR | |
| SCHEMBL10820961 | 0.89 | PGR (0.79) | ABCB11CYP3A4PGRCYP2C19AR | |
| SCHEMBL10820946 | 0.85 | MAPT (0.62) | ABCB11CYP3A4PGRCYP2C19AR | |
| SCHEMBL10821127 | 0.81 | SHBG (0.55) | CYP3A4PGRCYP2C19ARMAPT | |
| SCHEMBL10821128 | 0.81 | SHBG (0.55) | CYP3A4PGRCYP2C19ARMAPT | |
| SCHEMBL10820864 | 0.81 | PGR (0.58) | ABCB11CYP3A4PGRCYP2C19AR | |
| SCHEMBL10821033 | 0.80 | PGR (0.79) | ABCB11CYP3A4PGRCYP2C19AR | |
| SCHEMBL10820934 | 0.79 | PGR (0.54) | ABCB11CYP3A4PGRCYP2C19AR | |
| SCHEMBL10933842 | 0.79 | CYP3A4 (0.77) | ABCB11CYP3A4PGRCYP2C19AR | |
| SCHEMBL11143759 | 0.78 | PGR (0.65) | ABCB11CYP3A4PGRCYP2C19AR |
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 |