Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 4/20 | 0.39 |
| ▸ | G6PD | P11413 | 3/20 | 0.39 |
| ▸ | SERPINA6 | P08185 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GUSB | P08236 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 10/20 | 0.39 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.37 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8209650 | 0.78 | CYP19A1 (0.39) | — | |
| SCHEMBL24246306 | 0.74 | SHBG (0.44) | SHBGG6PDSERPINA6ESR1AR | |
| SCHEMBL23106867 | 0.74 | SHBG (0.44) | SHBGG6PDSERPINA6ESR1AR | |
| SCHEMBL7146802 | 0.72 | CYP19A1 (0.42) | — | |
| SCHEMBL15164641 | 0.69 | SHBG (0.52) | SHBGG6PDSERPINA6ESR1AR | |
| SCHEMBL7146279 | 0.68 | CYP19A1 (0.41) | SHBG | |
| SCHEMBL23566077 | 0.67 | SHBG (0.50) | SHBGG6PDSERPINA6ESR1AR | |
| SCHEMBL13347892 | 0.67 | SHBG (0.50) | SHBGG6PDSERPINA6ESR1AR | |
| SCHEMBL23563323 | 0.67 | SHBG (0.50) | SHBGG6PDSERPINA6ESR1AR | |
| SCHEMBL17013828 | 0.67 | SHBG (0.50) | SHBGG6PDSERPINA6ESR1AR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6153605-A | Arylsecocholadiene derivatives | HOFFMAN-LA ROCHE INC. (US) | 2000-11-28 | — | — | US | disclosed |
| EP-0771789-B1 | 1 alpha, 26-dihydroxy-D-homo-vitamin D3 | HOFFMANN LA ROCHE (CH) | 2000-02-16 | — | — | EP | disclosed |
| EP-0977734-A2 | ARYLSECOCHOLADIENE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-02-09 | — | — | EP | disclosed |
| US-5905074-A | SKIN DISORDERS, ANTITUMOR AGENTS, VITAMIN D DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 1999-05-18 | — | — | US | disclosed |
| WO-1998047866-A2 | ARYLSECOCHOLADIENE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1998-10-29 | — | — | WO | disclosed |
| EP-0771789-A1 | 1 alpha, 26-dihydroxy-D-homo-vitamin D3 | F. HOFFMANN-LA ROCHE AG (CH) | 1997-05-07 | — | — | EP | disclosed |