Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 14/20 | 0.47 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6169947 | 1.00 | SIGMAR1 (0.47) | SIGMAR1SRD5A1IDO1PDPK1 | |
| SCHEMBL7709441 | 0.89 | SIGMAR1 (0.47) | SIGMAR1SRD5A1IDO1PDPK1 | |
| SCHEMBL7993604 | 0.89 | SIGMAR1 (0.41) | SIGMAR1SRD5A1 | |
| SCHEMBL7709439 | 0.89 | SIGMAR1 (0.47) | SIGMAR1SRD5A1IDO1PDPK1 | |
| SCHEMBL8051810 | 0.89 | SIGMAR1 (0.47) | SIGMAR1SRD5A1IDO1PDPK1 | |
| SCHEMBL6266061 | 0.88 | SIGMAR1 (0.50) | SIGMAR1SRD5A1 | |
| SCHEMBL6245964 | 0.79 | SIGMAR1 (0.51) | SIGMAR1 | |
| SCHEMBL11653286 | 0.79 | SRD5A1 (0.43) | SRD5A1 | |
| SCHEMBL6247625 | 0.77 | ESR2 (0.48) | — | |
| SCHEMBL21821598 | 0.76 | SRD5A1 (0.48) | SIGMAR1SRD5A1IDO1PDPK1 |
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 |