Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | PRKACA | P17612 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | FDPS | P14324 | 1/20 | 0.42 |
| ▸ | FABP1 | P07148 | 1/20 | 0.41 |
| ▸ | FABP6 | P51161 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | F11 | P03951 | 1/20 | 0.39 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 6/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.36 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7853925 | 0.85 | PIK3CA (0.41) | FDPSMEN1NPC1RAB9AKMT2A | |
| SCHEMBL7854740 | 0.85 | RAB9A (0.40) | CYP2D6FDPSMEN1NPC1RAB9A | |
| SCHEMBL7022559 | 0.82 | CYP2D6 (0.36) | CYP2D6FDPSFABP1FABP6NPC1 | |
| SCHEMBL7855837 | 0.79 | CYP2D6 (0.36) | CYP2D6FDPSFABP1FABP6MEN1 | |
| SCHEMBL7851108 | 0.77 | MEN1 (0.36) | CYP2D6FDPSFABP1FABP6MEN1 | |
| SCHEMBL3758388 | 0.75 | CYP2D6 (0.66) | CYP2D6FDPSFABP1FABP6CXCR4 | |
| SCHEMBL7015556 | 0.75 | FABP1 (0.41) | CYP2D6FDPSFABP1FABP6CXCR4 | |
| SCHEMBL2331522 | 0.75 | F11 (0.51) | CYP2D6AURKAHSP90AA1PRKACAADORA2A | |
| SCHEMBL6644446 | 0.73 | CYP2D6 (0.38) | CYP2D6FDPSFABP1FABP6MEN1 | |
| SCHEMBL5100516 | 0.72 | VCP (0.47) | AURKAHSP90AA1PRKACAADORA2AFABP1 |
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-1317433-A2 | INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 | CHIRON CORPORATION (US) | 2003-06-11 | — | — | EP | disclosed |
| WO-2002020495-A2 | INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 | CHIRON CORPORATION (US) | 2002-03-14 | — | — | WO | disclosed |