Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 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 | |
|---|---|---|---|---|
| SCHEMBL6456032 | 1.00 | AKR1C3 (0.46) | AKR1C3AKR1C1ESR2SLC18A3SIGMAR1 | |
| SCHEMBL6456038 | 1.00 | AKR1C3 (0.46) | AKR1C3AKR1C1ESR2SLC18A3SIGMAR1 | |
| SCHEMBL16830211 | 0.88 | AKR1C3 (0.52) | AKR1C3AKR1C1ESR2SLC18A3SIGMAR1 | |
| SCHEMBL16830128 | 0.88 | AKR1C3 (0.52) | AKR1C3AKR1C1ESR2SLC18A3SIGMAR1 | |
| SCHEMBL16830208 | 0.88 | AKR1C3 (0.52) | AKR1C3AKR1C1ESR2SLC18A3SIGMAR1 | |
| SCHEMBL16830129 | 0.88 | AKR1C3 (0.52) | AKR1C3AKR1C1ESR2SLC18A3SIGMAR1 | |
| SCHEMBL190852 | 0.88 | AKR1C3 (0.52) | AKR1C3AKR1C1ESR2SLC18A3SIGMAR1 | |
| SCHEMBL10091159 | 0.82 | ESR2 (0.55) | AKR1C3AKR1C1ESR2SLC18A3SIGMAR1 | |
| SCHEMBL10765237 | 0.82 | ESR2 (0.55) | AKR1C3AKR1C1ESR2SLC18A3SIGMAR1 | |
| SCHEMBL10765232 | 0.82 | ESR2 (0.55) | AKR1C3AKR1C1ESR2SLC18A3SIGMAR1 |
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 |