Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 4/20 | 0.56 |
| ▸ | ESR1 | P03372 | 7/20 | 0.55 |
| ▸ | LMNA | P02545 | 7/20 | 0.55 |
| ▸ | PGR | P06401 | 5/20 | 0.55 |
| ▸ | AR | P10275 | 4/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.55 |
| ▸ | NR3C1 | P04150 | 4/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | THRB | P10828 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.49 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL10898740 | 1.00 | SHBG (0.56) | SHBGESR1LMNAPGRAR | |
| SCHEMBL9623848 | 0.89 | SRD5A2 (0.44) | SHBGESR1LMNAPGRAR | |
| SCHEMBL11518182 | 0.86 | SHBG (0.59) | SHBGESR1LMNAPGRAR | |
| SCHEMBL11518186 | 0.86 | SHBG (0.59) | SHBGESR1LMNAPGRAR | |
| SCHEMBL15079257 | 0.84 | SHBG (0.41) | SHBGESR1LMNAPGRAR | |
| SCHEMBL9806094 | 0.84 | SHBG (0.41) | SHBGESR1LMNAPGRAR | |
| SCHEMBL9806111 | 0.84 | ESR1 (0.42) | SHBGESR1LMNAPGRAR | |
| SCHEMBL11208571 | 0.81 | LMNA (0.56) | SHBGESR1LMNAPGRAR | |
| SCHEMBL11731128 | 0.81 | SHBG (0.53) | SHBGESR1LMNAPGRAR | |
| SCHEMBL6897615 | 0.79 | ESR1 (0.42) | ESR1ARESR2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0148616-B1 | STABILISED MONOLITHIUM ACETYLIDE AND THE ETHYNYLATION OF STEROIDS | THE UPJOHN COMPANY (US) | 1991-04-17 | — | — | EP | disclosed |
| EP-0402963-A2 | 17-Alpha ethynyl steroids | THE UPJOHN COMPANY (US) | 1990-12-19 | — | — | EP | disclosed |
| EP-0148616-A2 | Stabilised monolithium acetylide and the ethynylation of steroids | THE UPJOHN COMPANY (US) | 1985-07-17 | — | — | EP | disclosed |
| US-4526720-A | Process to prepare stabilized monolithium acetylide | THE UPJOHN COMPANY (US) | 1985-07-02 | — | — | US | disclosed |