Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.37 |
| ▸ | HTR3B | O95264 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.37 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | ADCY10 | Q96PN6 | 5/20 | 0.34 |
| ▸ | CDK9 | P50750 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.34 |
| ▸ | IDH1 | O75874 | 3/20 | 0.33 |
| ▸ | IDH2 | P48735 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL15828469 | 0.79 | ADORA2B (0.38) | ADORA2BCDK9DYRK1ADYRK2SMN1; SMN2 | |
| SCHEMBL2159924 | 0.79 | PDE10A (0.41) | JAK2PDE10APIK3CAADCY10SMN1; SMN2 | |
| SCHEMBL15048611 | 0.79 | PDE10A (0.40) | JAK2PDE10AMEN1KMT2A | |
| SCHEMBL7246729 | 0.78 | MAPT (0.45) | PDE10AIDH1IDH2SMN1; SMN2TP53 | |
| SCHEMBL31749197 | 0.77 | BTK (0.44) | IDH1NPC1RAB9A | |
| SCHEMBL2684263 | 0.75 | KMO (0.35) | JAK2ADORA2B | |
| SCHEMBL30492599 | 0.74 | CYP3A4 (0.50) | JAK2HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL1071454 | 0.74 | CYP3A4 (0.50) | JAK2HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL4765637 | 0.72 | MAPT (0.48) | SMN1; SMN2TP53POLBMAPTKDM4E | |
| SCHEMBL2159941 | 0.71 | KDM4E (0.52) | SMN1; SMN2TP53POLBMAPTKDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2526098-B1 | NITROGEN-CONTAINING HETEROARYL DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2018-07-11 | — | — | EP | claimed |
| US-8470820-B2 | Nitrogen-containing heteroaryl derivatives | HOFFMAN-LA ROCHE INC. (US) | 2013-06-25 | — | — | US | claimed |
| EP-2526098-B1 | NITROGEN-CONTAINING HETEROARYL DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2018-07-11 | — | — | EP | disclosed |
| US-8470820-B2 | Nitrogen-containing heteroaryl derivatives | HOFFMAN-LA ROCHE INC. (US) | 2013-06-25 | — | — | US | disclosed |