Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
| ▸ | SLC18A3 | Q16572 | 3/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11027831 | 1.00 | AKR1C3 (0.42) | AKR1C3AKR1C1SLC18A3SIGMAR1CYP2D6 | |
| SCHEMBL10177659 | 0.89 | AKR1C3 (0.47) | AKR1C3AKR1C1SLC18A3SIGMAR1CYP2D6 | |
| SCHEMBL10931400 | 0.83 | ESR2 (0.44) | CYP2D6DPP4 | |
| SCHEMBL1399533 | 0.81 | SLC18A3 (0.48) | AKR1C3AKR1C1SLC18A3SIGMAR1CYP2D6 | |
| SCHEMBL10343084 | 0.81 | SLC18A3 (0.48) | AKR1C3AKR1C1SLC18A3SIGMAR1CYP2D6 | |
| SCHEMBL10177633 | 0.79 | AKR1C3 (0.41) | AKR1C3AKR1C1SLC18A3SIGMAR1 | |
| SCHEMBL1399510 | 0.79 | AKR1C3 (0.41) | AKR1C3AKR1C1SLC18A3SIGMAR1 | |
| SCHEMBL10177636 | 0.79 | AKR1C3 (0.41) | AKR1C3AKR1C1SLC18A3SIGMAR1 | |
| SCHEMBL6297980 | 0.76 | SLC18A3 (0.49) | AKR1C3AKR1C1SLC18A3SIGMAR1CYP2D6 | |
| SCHEMBL11028375 | 0.76 | SLC18A3 (0.49) | AKR1C3AKR1C1SLC18A3SIGMAR1CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-4432885-A | Decalins | HOFFMANN-LA ROCHE INC. (US) | 1984-02-21 | — | — | US | disclosed |