Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 11/20 | 0.39 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.37 |
| ▸ | CLK1 | P49759 | 1/20 | 0.37 |
| ▸ | CLK2 | P49760 | 1/20 | 0.37 |
| ▸ | CLK3 | P49761 | 1/20 | 0.37 |
| ▸ | JAK3 | P52333 | 1/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.37 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.37 |
| ▸ | PNCK | Q6P2M8 | 1/20 | 0.37 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.37 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.37 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.37 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.37 |
| ▸ | DYRK4 | Q9NR20 | 1/20 | 0.37 |
| ▸ | STK39 | Q9UEW8 | 1/20 | 0.37 |
| ▸ | WNK2 | Q9Y3S1 | 1/20 | 0.37 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14939567 | 0.76 | CYP2D6 (0.41) | CYP2D6DYRK1AALDH1A1TSHRMAPK1 | |
| SCHEMBL14940180 | 0.75 | CYP2D6 (0.44) | CYP2D6ALDH1A1TSHRMAPK1ALOX12 | |
| SCHEMBL14939045 | 0.71 | CYP2D6 (0.42) | CYP2D6ALDH1A1TSHRMAPK1ALOX12 | |
| SCHEMBL14939206 | 0.71 | ALDH1A1 (0.45) | CYP2D6ALDH1A1TSHRMAPK1ALOX12 | |
| SCHEMBL14940197 | 0.70 | NPC1 (0.45) | CYP2D6ALDH1A1TSHRMAPK1ALOX12 | |
| SCHEMBL14939120 | 0.70 | CYP2D6 (0.45) | CYP2D6ALDH1A1TSHRMAPK1ALOX12 | |
| SCHEMBL14939387 | 0.70 | ALDH1A1 (0.45) | CYP2D6ALDH1A1TSHRMAPK1ALOX12 | |
| SCHEMBL14939171 | 0.68 | CYP2D6 (0.42) | CYP2D6ALDH1A1TSHRMAPK1ALOX12 | |
| SCHEMBL14938972 | 0.67 | CYP2D6 (0.41) | CYP2D6ALDH1A1TSHRMAPK1ALOX12 | |
| SCHEMBL14939487 | 0.67 | ALDH1A1 (0.45) | CYP2D6ALDH1A1TSHRMAPK1ALOX12 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013068785-A1 | INDANONE AND INDANDIONE DERIVATIVES AND HETEROCYCLIC ANALOGS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-05-16 | — | — | WO | disclosed |