Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A1 | P18405 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
| ▸ | MAP1LC3B | Q9GZQ8 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18585014 | 0.79 | SRD5A1 (0.49) | SRD5A1AKR1C3AKR1C1GAAMAPT | |
| SCHEMBL13039616 | 0.78 | SRD5A1 (0.47) | SRD5A1AKR1C3AKR1C1GAAMAPT | |
| SCHEMBL8920951 | 0.77 | SRD5A1 (0.46) | SRD5A1AKR1C3AKR1C1GAAMAPT | |
| SCHEMBL3929711 | 0.76 | DDB1 (0.41) | MAPT | |
| SCHEMBL3460426 | 0.75 | SRD5A1 (0.45) | SRD5A1AKR1C3AKR1C1GAAMAPT | |
| SCHEMBL22321333 | 0.75 | SRD5A1 (0.45) | SRD5A1AKR1C3AKR1C1GAAMAPT | |
| SCHEMBL22048164 | 0.75 | SRD5A1 (0.45) | SRD5A1AKR1C3AKR1C1GAAMAPT | |
| SCHEMBL28243214 | 0.75 | SRD5A1 (0.45) | SRD5A1AKR1C3AKR1C1GAAMAPT | |
| SCHEMBL8864229 | 0.75 | SRD5A1 (0.45) | SRD5A1AKR1C3AKR1C1GAAMAPT | |
| SCHEMBL3536568 | 0.75 | SRD5A1 (0.45) | SRD5A1AKR1C3AKR1C1GAAMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1385493-A1 | SUBSTITUTED CYCLOHEXAN-1,4-DIAMINE DERIVATIVES WITH CONSTIPATING AND PERIPHERAL ANALGESIC PROPERTIES | Grünenthal GmbH (DE) | 2004-02-04 | — | — | EP | disclosed |
| WO-2002089783-A1 | SUBSTITUTED CYCLOHEXAN-1,4-DIAMINE DERIVATIVES WITH CONSTIPATING AND PERIPHERAL ANALGESIC PROPERTIES | Grünenthal GmbH (DE) | 2002-11-14 | — | — | WO | disclosed |