Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 13/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 13/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | EDNRA | P25101 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7080954 | 0.93 | ALDH1A1 (0.51) | MTNR1AMTNR1BALDH1A1CYP3A4HPGD | |
| SCHEMBL8470680 | 0.84 | HPGD (0.53) | MTNR1AMTNR1BALDH1A1CYP3A4HPGD | |
| SCHEMBL30407941 | 0.82 | EDNRA (0.52) | MTNR1AMTNR1BHSP90AA1MEN1NPC1 | |
| SCHEMBL13934965 | 0.75 | PPARG (0.43) | ALDH1A1HSP90AA1EDNRA | |
| SCHEMBL13921306 | 0.75 | EDNRA (0.46) | MTNR1AMTNR1BALDH1A1HPGDMAPK1 | |
| SCHEMBL11175864 | 0.74 | ALDH1A1 (0.62) | ALDH1A1CYP3A4HPGDMAPK1MEN1 | |
| SCHEMBL19424137 | 0.73 | ALDH1A1 (0.61) | ALDH1A1CYP3A4HPGDMAPK1MEN1 | |
| SCHEMBL178565 | 0.72 | NPSR1 (0.57) | MTNR1AMTNR1BALDH1A1CYP3A4 | |
| SCHEMBL5030912 | 0.71 | EDNRA (0.55) | MTNR1AMTNR1BHPGDHSP90AA1MEN1 | |
| SCHEMBL20215988 | 0.71 | ALDH1A1 (0.59) | ALDH1A1CYP3A4HPGDMAPK1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999025707-A1 | 2-ARYLBENZO[b]THIOPHENES USEFUL FOR THE TREATMENT OF ESTROGEN DEPRIVATION SYNDROME | ELI LILLY AND COMPANY (US) | 1999-05-27 | — | — | WO | disclosed |