Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | JAK1 | P23458 | 1/20 | 0.37 |
| ▸ | TYK2 | P29597 | 1/20 | 0.37 |
| ▸ | JAK3 | P52333 | 1/20 | 0.37 |
| ▸ | OGA | O60502 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 2/20 | 0.35 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | HRH1 | P35367 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 3/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22060816 | 0.84 | KDM5A (0.38) | JAK2JAK1TYK2JAK3HSD11B1 | |
| SCHEMBL22060812 | 0.84 | KDM5A (0.38) | JAK2JAK1TYK2JAK3HSD11B1 | |
| SCHEMBL27322625 | 0.82 | OGA (0.43) | OGANOS1GABRDGABRA1GABRB2 | |
| SCHEMBL22014131 | 0.81 | OGA (0.34) | OGACHRNB2CHRNA4CYP2D6HRH1 | |
| SCHEMBL22013247 | 0.80 | MPO (0.49) | JAK2JAK1TYK2JAK3HSD11B1 | |
| SCHEMBL255397 | 0.78 | — | — | |
| SCHEMBL27154214 | 0.77 | MET (0.37) | OGACHRNB2CHRNA4CYP2D6HRH1 | |
| SCHEMBL22013131 | 0.77 | OGA (0.37) | OGACHRNB2CHRNA4CYP2D6HRH1 | |
| SCHEMBL26298918 | 0.76 | OGA (0.37) | JAK2JAK1TYK2JAK3OGA | |
| SCHEMBL30567811 | 0.75 | ACHE (0.42) | JAK2JAK1TYK2JAK3ACHE |
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-3882247-A1 | SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR | Shanghai Ennovabio Pharmaceuticals Co., Ltd. (CN) | 2021-09-22 | — | — | EP | disclosed |
| WO-2020098723-A1 | SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR | 上海轶诺药业有限公司 | 2020-05-22 | — | — | WO | disclosed |