Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 20/20 | 0.49 |
| ▸ | AKR1C2 | P52895 | 20/20 | 0.49 |
| ▸ | AKR1C1 | Q04828 | 3/20 | 0.42 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.42 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4201800 | 0.77 | AKR1C3 (0.76) | AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4 | |
| SCHEMBL10713987 | 0.77 | AKR1C3 (0.54) | AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4 | |
| SCHEMBL7900941 | 0.76 | AKR1C3 (0.51) | AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4 | |
| SCHEMBL18290903 | 0.73 | AKR1C3 (0.61) | AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4 | |
| Xenbucin SCHEMBL24134 | 0.72 | PTGS2 (0.58) | AKR1C3AKR1C2AKR1C1PTGS1 | |
| SCHEMBL19202485 | 0.72 | AKR1C3 (0.54) | AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4 | |
| SCHEMBL15823662 | 0.71 | LMNA (0.49) | PTGS1 | |
| SCHEMBL698040 | 0.71 | CYP3A4 (0.44) | — | |
| SCHEMBL20553863 | 0.71 | AKR1C3 (0.51) | AKR1C3AKR1C2AKR1C1PTGS1 | |
| Xenbucin SCHEMBL3360074 | 0.70 | PTGS2 (0.55) | AKR1C3AKR1C2AKR1C1PTGS1 |
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-9518050-B2 | Cyclohexyl and quinuclidinyl carbamate derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activity | ALMIRALL, S.A. (ES) | 2016-12-13 | — | — | US | disclosed |