Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.39 |
| ▸ | AKR1B10 | O60218 | 3/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.39 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | SHBG | P04278 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | SERPINA6 | P08185 | 1/20 | 0.38 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MGAM | O43451 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7706391 | 1.00 | CYP19A1 (0.39) | CYP19A1AKR1B10AKR1B1OR51E2CYP3A4 | |
| SCHEMBL7709398 | 1.00 | CYP19A1 (0.39) | CYP19A1AKR1B10AKR1B1OR51E2CYP3A4 | |
| SCHEMBL7706912 | 1.00 | CYP19A1 (0.39) | CYP19A1AKR1B10AKR1B1OR51E2CYP3A4 | |
| SCHEMBL7703775 | 1.00 | CYP19A1 (0.39) | CYP19A1AKR1B10AKR1B1OR51E2CYP3A4 | |
| SCHEMBL1070747 | 1.00 | CYP19A1 (0.39) | CYP19A1AKR1B10AKR1B1OR51E2CYP3A4 | |
| SCHEMBL7706389 | 1.00 | CYP19A1 (0.39) | CYP19A1AKR1B10AKR1B1OR51E2CYP3A4 | |
| SCHEMBL29777486 | 0.94 | AKR1B10 (0.40) | CYP19A1AKR1B10AKR1B1OR51E2CYP3A4 | |
| SCHEMBL29777473 | 0.94 | AKR1B10 (0.40) | CYP19A1AKR1B10AKR1B1OR51E2CYP3A4 | |
| SCHEMBL27714856 | 0.94 | AKR1B10 (0.40) | CYP19A1AKR1B10AKR1B1OR51E2CYP3A4 | |
| SCHEMBL13992820 | 0.84 | LMNA (0.37) | CYP19A1AKR1B10AKR1B1OR51E2CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0921125-B1 | 1,3,8-Triazaspiro[4,5]decan-4-on derivatives | HOFFMANN LA ROCHE (CH) | 2002-01-30 | — | — | EP | disclosed |
| US-6043366-A | USEFUL IN TREATING DISORDERS INVOLVING THE ORPHANIN FQ(A SEVENTEEN AMINO ACID LONG PEPTIDE) RECEPTOR. | HOFFMAN-LA ROCHE INC. (US) | 2000-03-28 | — | — | US | disclosed |
| EP-0921125-A1 | 1,3,8-Triaza-spiro 4,5 decan-4-on derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1999-06-09 | — | — | EP | disclosed |